N-[3-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propylamino]propyl]formamide

C21H41N3O — CID 10948137

IUPACN-[3-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propylamino]propyl]formamide
SMILESO=CNCCCNCCCN1CCCC/C=C\CCCCCCCC1
InChIInChI=1S/C21H41N3O/c25-21-23-16-13-15-22-17-14-20-24-18-11-9-7-5-3-1-2-4-6-8-10-12-19-24/h3,5,21-22H,1-2,4,6-20H2,(H,23,25)/b5-3-
InChIKeyPJNFNNWWJVOTMR-HYXAFXHYSA-N
MW351.58 g/mol
LogP3.88
Rot. Bonds9

About N-[3-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propylamino]propyl]formamide

N-[3-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propylamino]propyl]formamide (PubChem CID 10948137) has the molecular formula C21H41N3O and a molecular weight of 351.58 g/mol. Its IUPAC name is N-[3-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propylamino]propyl]formamide.

Molecular Properties

Compound NameN-[3-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propylamino]propyl]formamide
PubChem CID10948137
Molecular FormulaC21H41N3O
Molecular Weight351.58 g/mol
Exact Mass351.32
IUPAC NameN-[3-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propylamino]propyl]formamide
SMILESO=CNCCCNCCCN1CCCC/C=C\CCCCCCCC1
InChIInChI=1S/C21H41N3O/c25-21-23-16-13-15-22-17-14-20-24-18-11-9-7-5-3-1-2-4-6-8-10-12-19-24/h3,5,21-22H,1-2,4,6-20H2,(H,23,25)/b5-3-
InChIKeyPJNFNNWWJVOTMR-HYXAFXHYSA-N
XLogP3.88
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.58
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 N-[3-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propylamino]propyl]formamide?
The IUPAC name of N-[3-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propylamino]propyl]formamide (CID 10948137) is N-[3-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propylamino]propyl]formamide.
What is the SMILES notation for N-[3-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propylamino]propyl]formamide?
The canonical SMILES for N-[3-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propylamino]propyl]formamide is O=CNCCCNCCCN1CCCC/C=C\CCCCCCCC1.
What is the InChIKey of N-[3-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propylamino]propyl]formamide?
The InChIKey is PJNFNNWWJVOTMR-HYXAFXHYSA-N. The full InChI is InChI=1S/C21H41N3O/c25-21-23-16-13-15-22-17-14-20-24-18-11-9-7-5-3-1-2-4-6-8-10-12-19-24/h3,5,21-22H,1-2,4,6-20H2,(H,23,25)/b5-3-.
What are the key properties of N-[3-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propylamino]propyl]formamide?
N-[3-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propylamino]propyl]formamide has a molecular weight of 351.58 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propylamino]propyl]formamide is sourced from PubChem (CID 10948137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).