12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide

C54H108N10O6 — CID 25144019

IUPAC12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide
SMILESNCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NCCCCCCCCCCCC(=O)NC(CCCCN)C(N)=O
InChIInChI=1S/C54H108N10O6/c55-40-28-19-13-7-1-4-10-17-23-38-50(66)63-47(35-26-30-42-57)53(69)61-45-33-21-15-9-3-6-12-18-24-39-51(67)64-48(36-27-31-43-58)54(70)60-44-32-20-14-8-2-5-11-16-22-37-49(65)62-46(52(59)68)34-25-29-41-56/h46-48H,1-45,55-58H2,(H2,59,68)(H,60,70)(H,61,69)(H,62,65)(H,63,66)(H,64,67)
InChIKeySJKMCXLJYVOHRR-UHFFFAOYSA-N
MW993.52 g/mol
LogP7.21
Rot. Bonds53

About 12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide

12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide (PubChem CID 25144019) has the molecular formula C54H108N10O6 and a molecular weight of 993.52 g/mol. Its IUPAC name is 12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide.

Molecular Properties

Compound Name12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide
PubChem CID25144019
Molecular FormulaC54H108N10O6
Molecular Weight993.52 g/mol
Exact Mass992.85
IUPAC Name12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide
SMILESNCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NCCCCCCCCCCCC(=O)NC(CCCCN)C(N)=O
InChIInChI=1S/C54H108N10O6/c55-40-28-19-13-7-1-4-10-17-23-38-50(66)63-47(35-26-30-42-57)53(69)61-45-33-21-15-9-3-6-12-18-24-39-51(67)64-48(36-27-31-43-58)54(70)60-44-32-20-14-8-2-5-11-16-22-37-49(65)62-46(52(59)68)34-25-29-41-56/h46-48H,1-45,55-58H2,(H2,59,68)(H,60,70)(H,61,69)(H,62,65)(H,63,66)(H,64,67)
InChIKeySJKMCXLJYVOHRR-UHFFFAOYSA-N
XLogP7.21
TPSA292.67 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds53
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500993.52
LogP ≤ 57.21
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide?
The IUPAC name of 12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide (CID 25144019) is 12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide.
What is the SMILES notation for 12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide?
The canonical SMILES for 12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide is NCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NCCCCCCCCCCCC(=O)NC(CCCCN)C(N)=O.
What is the InChIKey of 12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide?
The InChIKey is SJKMCXLJYVOHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H108N10O6/c55-40-28-19-13-7-1-4-10-17-23-38-50(66)63-47(35-26-30-42-57)53(69)61-45-33-21-15-9-3-6-12-18-24-39-51(67)64-48(36-27-31-43-58)54(70)60-44-32-20-14-8-2-5-11-16-22-37-49(65)62-46(52(59)68)34-25-29-41-56/h46-48H,1-45,55-58H2,(H2,59,68)(H,60,70)(H,61,69)(H,62,65)(H,63,66)(H,64,67).
What are the key properties of 12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide?
12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide has a molecular weight of 993.52 g/mol, XLogP of 7.21, 53 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide is sourced from PubChem (CID 25144019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).