2-amino-N-[3-[5-(3-iminopropylamino)pentan-2-ylamino]propyl]acetamide

C13H29N5O — CID 138564626

IUPAC2-amino-N-[3-[5-(3-iminopropylamino)pentan-2-ylamino]propyl]acetamide
SMILES[H]/N=C/CCNCCCC(C)NCCCNC(=O)CN
InChIInChI=1S/C13H29N5O/c1-12(5-2-7-16-8-3-6-14)17-9-4-10-18-13(19)11-15/h6,12,14,16-17H,2-5,7-11,15H2,1H3,(H,18,19)/b14-6+
InChIKeyQEXWFHFRRVGFTF-MKMNVTDBSA-N
MW271.41 g/mol
LogP-0.16
Rot. Bonds13

About 2-amino-N-[3-[5-(3-iminopropylamino)pentan-2-ylamino]propyl]acetamide

2-amino-N-[3-[5-(3-iminopropylamino)pentan-2-ylamino]propyl]acetamide (PubChem CID 138564626) has the molecular formula C13H29N5O and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-amino-N-[3-[5-(3-iminopropylamino)pentan-2-ylamino]propyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-[5-(3-iminopropylamino)pentan-2-ylamino]propyl]acetamide
PubChem CID138564626
Molecular FormulaC13H29N5O
Molecular Weight271.41 g/mol
Exact Mass271.24
IUPAC Name2-amino-N-[3-[5-(3-iminopropylamino)pentan-2-ylamino]propyl]acetamide
SMILES[H]/N=C/CCNCCCC(C)NCCCNC(=O)CN
InChIInChI=1S/C13H29N5O/c1-12(5-2-7-16-8-3-6-14)17-9-4-10-18-13(19)11-15/h6,12,14,16-17H,2-5,7-11,15H2,1H3,(H,18,19)/b14-6+
InChIKeyQEXWFHFRRVGFTF-MKMNVTDBSA-N
XLogP-0.16
TPSA103.03 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 5-0.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[5-(3-iminopropylamino)pentan-2-ylamino]propyl]acetamide?
The IUPAC name of 2-amino-N-[3-[5-(3-iminopropylamino)pentan-2-ylamino]propyl]acetamide (CID 138564626) is 2-amino-N-[3-[5-(3-iminopropylamino)pentan-2-ylamino]propyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-[5-(3-iminopropylamino)pentan-2-ylamino]propyl]acetamide?
The canonical SMILES for 2-amino-N-[3-[5-(3-iminopropylamino)pentan-2-ylamino]propyl]acetamide is [H]/N=C/CCNCCCC(C)NCCCNC(=O)CN.
What is the InChIKey of 2-amino-N-[3-[5-(3-iminopropylamino)pentan-2-ylamino]propyl]acetamide?
The InChIKey is QEXWFHFRRVGFTF-MKMNVTDBSA-N. The full InChI is InChI=1S/C13H29N5O/c1-12(5-2-7-16-8-3-6-14)17-9-4-10-18-13(19)11-15/h6,12,14,16-17H,2-5,7-11,15H2,1H3,(H,18,19)/b14-6+.
What are the key properties of 2-amino-N-[3-[5-(3-iminopropylamino)pentan-2-ylamino]propyl]acetamide?
2-amino-N-[3-[5-(3-iminopropylamino)pentan-2-ylamino]propyl]acetamide has a molecular weight of 271.41 g/mol, XLogP of -0.16, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[5-(3-iminopropylamino)pentan-2-ylamino]propyl]acetamide is sourced from PubChem (CID 138564626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).