1-N-methyl-2-N-(3,3,4,4,10-pentamethylundec-10-enyl)propane-1,2-diamine

C20H42N2 — CID 139326123

IUPAC1-N-methyl-2-N-(3,3,4,4,10-pentamethylundec-10-enyl)propane-1,2-diamine
SMILESC=C(C)CCCCCC(C)(C)C(C)(C)CCNC(C)CNC
InChIInChI=1S/C20H42N2/c1-17(2)12-10-9-11-13-19(4,5)20(6,7)14-15-22-18(3)16-21-8/h18,21-22H,1,9-16H2,2-8H3
InChIKeyASFJULHGOPIQNJ-UHFFFAOYSA-N
MW310.57 g/mol
LogP5.15
Rot. Bonds13

About 1-N-methyl-2-N-(3,3,4,4,10-pentamethylundec-10-enyl)propane-1,2-diamine

1-N-methyl-2-N-(3,3,4,4,10-pentamethylundec-10-enyl)propane-1,2-diamine (PubChem CID 139326123) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is 1-N-methyl-2-N-(3,3,4,4,10-pentamethylundec-10-enyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-2-N-(3,3,4,4,10-pentamethylundec-10-enyl)propane-1,2-diamine
PubChem CID139326123
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Name1-N-methyl-2-N-(3,3,4,4,10-pentamethylundec-10-enyl)propane-1,2-diamine
SMILESC=C(C)CCCCCC(C)(C)C(C)(C)CCNC(C)CNC
InChIInChI=1S/C20H42N2/c1-17(2)12-10-9-11-13-19(4,5)20(6,7)14-15-22-18(3)16-21-8/h18,21-22H,1,9-16H2,2-8H3
InChIKeyASFJULHGOPIQNJ-UHFFFAOYSA-N
XLogP5.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-2-N-(3,3,4,4,10-pentamethylundec-10-enyl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-2-N-(3,3,4,4,10-pentamethylundec-10-enyl)propane-1,2-diamine (CID 139326123) is 1-N-methyl-2-N-(3,3,4,4,10-pentamethylundec-10-enyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-2-N-(3,3,4,4,10-pentamethylundec-10-enyl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-2-N-(3,3,4,4,10-pentamethylundec-10-enyl)propane-1,2-diamine is C=C(C)CCCCCC(C)(C)C(C)(C)CCNC(C)CNC.
What is the InChIKey of 1-N-methyl-2-N-(3,3,4,4,10-pentamethylundec-10-enyl)propane-1,2-diamine?
The InChIKey is ASFJULHGOPIQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2/c1-17(2)12-10-9-11-13-19(4,5)20(6,7)14-15-22-18(3)16-21-8/h18,21-22H,1,9-16H2,2-8H3.
What are the key properties of 1-N-methyl-2-N-(3,3,4,4,10-pentamethylundec-10-enyl)propane-1,2-diamine?
1-N-methyl-2-N-(3,3,4,4,10-pentamethylundec-10-enyl)propane-1,2-diamine has a molecular weight of 310.57 g/mol, XLogP of 5.15, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-2-N-(3,3,4,4,10-pentamethylundec-10-enyl)propane-1,2-diamine is sourced from PubChem (CID 139326123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).