5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide

C15H30N2O — CID 104685410

IUPAC5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide
SMILESCC(CCCN)C(=O)N[C@@H](C)C1CCCCCC1
InChIInChI=1S/C15H30N2O/c1-12(8-7-11-16)15(18)17-13(2)14-9-5-3-4-6-10-14/h12-14H,3-11,16H2,1-2H3,(H,17,18)/t12?,13-/m0/s1
InChIKeySVBAJNYASIQOSP-ABLWVSNPSA-N
MW254.42 g/mol
LogP2.84
Rot. Bonds6

About 5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide

5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide (PubChem CID 104685410) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide
PubChem CID104685410
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide
SMILESCC(CCCN)C(=O)N[C@@H](C)C1CCCCCC1
InChIInChI=1S/C15H30N2O/c1-12(8-7-11-16)15(18)17-13(2)14-9-5-3-4-6-10-14/h12-14H,3-11,16H2,1-2H3,(H,17,18)/t12?,13-/m0/s1
InChIKeySVBAJNYASIQOSP-ABLWVSNPSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1R)-1-cyclopentylethyl]-2-methylpropanamide
CID 81390273
N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide
CID 81385876
6-amino-N-(1-cyclohexylethyl)hexanamide
CID 55069317
5-amino-N-(cyclohexylmethyl)-2-methylpentanamide
CID 104683632
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide
CID 81393086
N-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119782455
2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide
CID 62405592
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621
N-[(1S)-1-cyclopropylethyl]-2-methylpentanamide
CID 161003325
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide?
The IUPAC name of 5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide (CID 104685410) is 5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide?
The canonical SMILES for 5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide is CC(CCCN)C(=O)N[C@@H](C)C1CCCCCC1.
What is the InChIKey of 5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide?
The InChIKey is SVBAJNYASIQOSP-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(8-7-11-16)15(18)17-13(2)14-9-5-3-4-6-10-14/h12-14H,3-11,16H2,1-2H3,(H,17,18)/t12?,13-/m0/s1.
What are the key properties of 5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide?
5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide has a molecular weight of 254.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide is sourced from PubChem (CID 104685410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).