[4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone

C14H27N3O — CID 43252118

IUPAC[4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
SMILESNCCCCCN1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H27N3O/c15-7-2-1-3-8-16-9-4-10-17(12-11-16)14(18)13-5-6-13/h13H,1-12,15H2
InChIKeyGNPTUOPTOGQBSZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.06
Rot. Bonds6

About [4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone

[4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone (PubChem CID 43252118) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is [4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
PubChem CID43252118
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name[4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
SMILESNCCCCCN1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H27N3O/c15-7-2-1-3-8-16-9-4-10-17(12-11-16)14(18)13-5-6-13/h13H,1-12,15H2
InChIKeyGNPTUOPTOGQBSZ-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone
CID 43251850
[4-(5-aminopentyl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 62907208
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone
CID 79157476
cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308401
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 43253151
[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone
CID 79152798
1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-2-cyclobutylethanone
CID 103161379
[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 43251431
1-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-2-cyclopropylpropan-1-one
CID 83147409
6-(azetidin-1-yl)hexan-1-amine
CID 18952651
cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63309624
4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide
CID 43252425

Frequently Asked Questions

What is the IUPAC name of [4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone (CID 43252118) is [4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone is NCCCCCN1CCCN(C(=O)C2CC2)CC1.
What is the InChIKey of [4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone?
The InChIKey is GNPTUOPTOGQBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c15-7-2-1-3-8-16-9-4-10-17(12-11-16)14(18)13-5-6-13/h13H,1-12,15H2.
What are the key properties of [4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone?
[4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone has a molecular weight of 253.39 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 43252118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).