5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide

C14H28N2O2 — CID 82012547

IUPAC5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide
SMILESCC(CN)CCC(=O)NC1(CO)CCCC(C)C1
InChIInChI=1S/C14H28N2O2/c1-11-4-3-7-14(8-11,10-17)16-13(18)6-5-12(2)9-15/h11-12,17H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyJNAJEOUYJDVETO-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.42
Rot. Bonds6

About 5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide

5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide (PubChem CID 82012547) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide
PubChem CID82012547
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide
SMILESCC(CN)CCC(=O)NC1(CO)CCCC(C)C1
InChIInChI=1S/C14H28N2O2/c1-11-4-3-7-14(8-11,10-17)16-13(18)6-5-12(2)9-15/h11-12,17H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyJNAJEOUYJDVETO-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]hexanamide
CID 82851944
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide
CID 62527367
N-[1-(hydroxymethyl)-3-methylcyclohexyl]pent-4-enamide
CID 62678355
3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
CID 62835204
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide
CID 62525990
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide
CID 62527893
(2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide
CID 62551339
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide
CID 63753681
N-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 62526681
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 62527537
2-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide
CID 114328607
methyl 3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2-methylbutanoate
CID 79396577

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide?
The IUPAC name of 5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide (CID 82012547) is 5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide?
The canonical SMILES for 5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide is CC(CN)CCC(=O)NC1(CO)CCCC(C)C1.
What is the InChIKey of 5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide?
The InChIKey is JNAJEOUYJDVETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11-4-3-7-14(8-11,10-17)16-13(18)6-5-12(2)9-15/h11-12,17H,3-10,15H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide?
5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide has a molecular weight of 256.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide is sourced from PubChem (CID 82012547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).