4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide

C16H31N3O — CID 66429992

IUPAC4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide
SMILESCC(C)C1CCCN(C(CN)CC(=O)NC2CC2)CC1
InChIInChI=1S/C16H31N3O/c1-12(2)13-4-3-8-19(9-7-13)15(11-17)10-16(20)18-14-5-6-14/h12-15H,3-11,17H2,1-2H3,(H,18,20)
InChIKeyJLWJXPBGEIPHBT-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.74
Rot. Bonds6

About 4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide

4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide (PubChem CID 66429992) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide
PubChem CID66429992
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide
SMILESCC(C)C1CCCN(C(CN)CC(=O)NC2CC2)CC1
InChIInChI=1S/C16H31N3O/c1-12(2)13-4-3-8-19(9-7-13)15(11-17)10-16(20)18-14-5-6-14/h12-15H,3-11,17H2,1-2H3,(H,18,20)
InChIKeyJLWJXPBGEIPHBT-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-cyclopropyl-3-piperidin-1-ylbutanamide
CID 66431608
4-amino-3-(4-propan-2-ylazepan-1-yl)butanamide
CID 66426900
4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide
CID 66431049
4-amino-3-(4-cyclopentylpiperazin-1-yl)-N-cyclopropylbutanamide
CID 66432440
4-amino-N-cyclopropyl-3-(3,4,5-trimethylpiperazin-1-yl)butanamide
CID 114537377
4-amino-N,N-dimethyl-3-(4-propan-2-ylpiperidin-1-yl)butanamide
CID 103494590
4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide
CID 66428208
4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide
CID 66427386
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 63340617
4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide
CID 66428450
4-amino-N-cyclobutyl-3-methylbutanamide
CID 81086885
4-amino-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)butanamide
CID 66430565

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide?
The IUPAC name of 4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide (CID 66429992) is 4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide is CC(C)C1CCCN(C(CN)CC(=O)NC2CC2)CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide?
The InChIKey is JLWJXPBGEIPHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12(2)13-4-3-8-19(9-7-13)15(11-17)10-16(20)18-14-5-6-14/h12-15H,3-11,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide?
4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide has a molecular weight of 281.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide is sourced from PubChem (CID 66429992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).