4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide

C15H31N3O — CID 66427386

IUPAC4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide
SMILESCCCC1CCCN(C(CN)CC(=O)NCC)CC1
InChIInChI=1S/C15H31N3O/c1-3-6-13-7-5-9-18(10-8-13)14(12-16)11-15(19)17-4-2/h13-14H,3-12,16H2,1-2H3,(H,17,19)
InChIKeyMBDLNDLAHHXUNC-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds7

About 4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide

4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide (PubChem CID 66427386) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide
PubChem CID66427386
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide
SMILESCCCC1CCCN(C(CN)CC(=O)NCC)CC1
InChIInChI=1S/C15H31N3O/c1-3-6-13-7-5-9-18(10-8-13)14(12-16)11-15(19)17-4-2/h13-14H,3-12,16H2,1-2H3,(H,17,19)
InChIKeyMBDLNDLAHHXUNC-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide
CID 66427812
4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide
CID 66426952
4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide
CID 66428450
4-amino-N-ethyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide
CID 79175132
4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide
CID 66429992
4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide
CID 66428208
4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide
CID 102965045
4-amino-N-propyl-3-(2-propylpiperidin-1-yl)butanamide
CID 83053457
4-amino-3-(4-propan-2-ylazepan-1-yl)butanamide
CID 66426900
4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide
CID 66428883
4-amino-N-cyclopropyl-3-piperidin-1-ylbutanamide
CID 66431608
2-(4-propylpiperidin-1-yl)nonan-1-amine
CID 63465247

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide?
The IUPAC name of 4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide (CID 66427386) is 4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide?
The canonical SMILES for 4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide is CCCC1CCCN(C(CN)CC(=O)NCC)CC1.
What is the InChIKey of 4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide?
The InChIKey is MBDLNDLAHHXUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-6-13-7-5-9-18(10-8-13)14(12-16)11-15(19)17-4-2/h13-14H,3-12,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide?
4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide is sourced from PubChem (CID 66427386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).