2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide

C14H28N2O2 — CID 106135774

IUPAC2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide
SMILESCC(C)CC(CN)C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C14H28N2O2/c1-10(2)7-12(8-15)14(18)16-9-11-3-5-13(17)6-4-11/h10-13,17H,3-9,15H2,1-2H3,(H,16,18)
InChIKeyPAHWJOYGEOSKNZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.27
Rot. Bonds6

About 2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide

2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide (PubChem CID 106135774) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide
PubChem CID106135774
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide
SMILESCC(C)CC(CN)C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C14H28N2O2/c1-10(2)7-12(8-15)14(18)16-9-11-3-5-13(17)6-4-11/h10-13,17H,3-9,15H2,1-2H3,(H,16,18)
InChIKeyPAHWJOYGEOSKNZ-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide
CID 106135811
2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296028
3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide
CID 106135609
N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
CID 106123043
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide
CID 106121936
N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 106135488
2-cyclopropylethyl 2-(aminomethyl)-4-methylpentanoate
CID 106202639
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
ethyl 2-amino-3-[(4-hydroxycyclohexyl)methylamino]-3-oxopropanoate
CID 106135415
2-ethyl-N-[(3-hydroxycyclopentyl)methyl]butanamide
CID 103279737
2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide
CID 115738674
N-[(3-hydroxycyclopentyl)methyl]-2-methoxypropanamide
CID 103279856

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide (CID 106135774) is 2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide is CC(C)CC(CN)C(=O)NCC1CCC(O)CC1.
What is the InChIKey of 2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide?
The InChIKey is PAHWJOYGEOSKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)7-12(8-15)14(18)16-9-11-3-5-13(17)6-4-11/h10-13,17H,3-9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide?
2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide has a molecular weight of 256.39 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide is sourced from PubChem (CID 106135774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).