2-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpentanamide

C14H29N3O — CID 61240400

IUPAC2-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCN1CCCCCC1
InChIInChI=1S/C14H29N3O/c1-3-8-14(2,15)13(18)16-9-12-17-10-6-4-5-7-11-17/h3-12,15H2,1-2H3,(H,16,18)
InChIKeyMFMXDPRGIXONHD-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.50
Rot. Bonds6

About 2-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpentanamide

2-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpentanamide (PubChem CID 61240400) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpentanamide
PubChem CID61240400
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCN1CCCCCC1
InChIInChI=1S/C14H29N3O/c1-3-8-14(2,15)13(18)16-9-12-17-10-6-4-5-7-11-17/h3-12,15H2,1-2H3,(H,16,18)
InChIKeyMFMXDPRGIXONHD-UHFFFAOYSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide
CID 119831283
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pentanamide
CID 61241654
2-amino-N-(2-hydroxyethyl)-2-methylpentanamide
CID 60847863
N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 580958
2-amino-N-(2-methoxyethyl)-2-methylpentanamide
CID 60848561
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894
2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride
CID 119741898
4-[(2-amino-2-methylpentanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 119865137
2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide
CID 60856275
1-octyl-3-(2-piperidin-1-ylethyl)urea
CID 139652292
1-(2-piperidin-1-ylethyl)-3-tetradecylurea
CID 139652340

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpentanamide (CID 61240400) is 2-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCCN1CCCCCC1.
What is the InChIKey of 2-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpentanamide?
The InChIKey is MFMXDPRGIXONHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-8-14(2,15)13(18)16-9-12-17-10-6-4-5-7-11-17/h3-12,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpentanamide?
2-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpentanamide has a molecular weight of 255.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpentanamide is sourced from PubChem (CID 61240400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).