[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone

C15H30N4O — CID 79152798

IUPAC[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone
SMILESNCCCN1CCCN(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H30N4O/c16-7-5-8-17-9-6-12-19(14-13-17)15(20)18-10-3-1-2-4-11-18/h1-14,16H2
InChIKeyQCTSJFJFRZKFAJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.34
Rot. Bonds3

About [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone

[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone (PubChem CID 79152798) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone
PubChem CID79152798
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone
SMILESNCCCN1CCCN(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H30N4O/c16-7-5-8-17-9-6-12-19(14-13-17)15(20)18-10-3-1-2-4-11-18/h1-14,16H2
InChIKeyQCTSJFJFRZKFAJ-UHFFFAOYSA-N
XLogP1.34
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone
CID 79157476
[4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 79155437
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2,2,2-trifluoroethanone
CID 107334920
[4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79159617
[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(1-methylcyclohexyl)methanone
CID 106825954
[4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 43252118
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 43253151
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 61277558
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(1-methylcyclohexyl)methanone
CID 106825958
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone?
The IUPAC name of [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone (CID 79152798) is [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone.
What is the SMILES notation for [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone?
The canonical SMILES for [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone is NCCCN1CCCN(C(=O)N2CCCCCC2)CC1.
What is the InChIKey of [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone?
The InChIKey is QCTSJFJFRZKFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c16-7-5-8-17-9-6-12-19(14-13-17)15(20)18-10-3-1-2-4-11-18/h1-14,16H2.
What are the key properties of [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone?
[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone has a molecular weight of 282.43 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone is sourced from PubChem (CID 79152798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).