2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide

C15H30N2O — CID 81393086

IUPAC2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide
SMILESCCCC(CN)C(=O)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C15H30N2O/c1-3-8-14(11-16)15(18)17-12(2)13-9-6-4-5-7-10-13/h12-14H,3-11,16H2,1-2H3,(H,17,18)/t12-,14?/m1/s1
InChIKeyCKTDXARZBOOVKS-PUODRLBUSA-N
MW254.42 g/mol
LogP2.84
Rot. Bonds6

About 2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide

2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide (PubChem CID 81393086) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide
PubChem CID81393086
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide
SMILESCCCC(CN)C(=O)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C15H30N2O/c1-3-8-14(11-16)15(18)17-12(2)13-9-6-4-5-7-10-13/h12-14H,3-11,16H2,1-2H3,(H,17,18)/t12-,14?/m1/s1
InChIKeyCKTDXARZBOOVKS-PUODRLBUSA-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

2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide
CID 62405592
3-amino-N-[(1R)-1-cyclopentylethyl]-2-methylpropanamide
CID 81390273
5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide
CID 104685410
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
N-(2-amino-1-cyclopropylethyl)-2-(cyclohexylmethyl)pentanamide
CID 119615833
5-amino-N-(1-cyclohexylethyl)-4-methylpentanamide
CID 82011673
N-[(1S)-1-cyclopropylethyl]-2-methylpentanamide
CID 161003325
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
2-amino-N-(3-cyclohexylbutan-2-yl)pentanamide
CID 119338034
2-bromo-N-(1-cyclohexylethyl)propanamide
CID 107905148

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide (CID 81393086) is 2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide is CCCC(CN)C(=O)N[C@H](C)C1CCCCCC1.
What is the InChIKey of 2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide?
The InChIKey is CKTDXARZBOOVKS-PUODRLBUSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-8-14(11-16)15(18)17-12(2)13-9-6-4-5-7-10-13/h12-14H,3-11,16H2,1-2H3,(H,17,18)/t12-,14?/m1/s1.
What are the key properties of 2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide?
2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide 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 2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide is sourced from PubChem (CID 81393086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).