4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide

C16H32N4O — CID 43252425

IUPAC4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide
SMILESNCCCCN1CCCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H32N4O/c17-9-4-5-10-19-11-6-12-20(14-13-19)16(21)18-15-7-2-1-3-8-15/h15H,1-14,17H2,(H,18,21)
InChIKeyNQAHGMHKNZMRCZ-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.78
Rot. Bonds5

About 4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide

4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide (PubChem CID 43252425) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide
PubChem CID43252425
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide
SMILESNCCCCN1CCCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H32N4O/c17-9-4-5-10-19-11-6-12-20(14-13-19)16(21)18-15-7-2-1-3-8-15/h15H,1-14,17H2,(H,18,21)
InChIKeyNQAHGMHKNZMRCZ-UHFFFAOYSA-N
XLogP1.78
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]propanoic acid
CID 82322944
N-cyclobutyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 116658505
N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 63309757
N-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106139
3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61194091
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone
CID 79157476
4-(4-aminobutyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 43252419
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
[4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 43252118
2-[4-(2-aminoethyl)piperazin-1-yl]-N-cyclododecyl-2-oxoacetamide
CID 108517344
[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone
CID 79152798

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide (CID 43252425) is 4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide is NCCCCN1CCCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide?
The InChIKey is NQAHGMHKNZMRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c17-9-4-5-10-19-11-6-12-20(14-13-19)16(21)18-15-7-2-1-3-8-15/h15H,1-14,17H2,(H,18,21).
What are the key properties of 4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide?
4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 43252425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).