3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide

C15H30N2O2 — CID 106135609

IUPAC3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide
SMILESCC(C)CC(CN)CC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C15H30N2O2/c1-11(2)7-13(9-16)8-15(19)17-10-12-3-5-14(18)6-4-12/h11-14,18H,3-10,16H2,1-2H3,(H,17,19)
InChIKeyAYIJOZGOGCNQDY-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.66
Rot. Bonds7

About 3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide

3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide (PubChem CID 106135609) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide
PubChem CID106135609
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide
SMILESCC(C)CC(CN)CC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C15H30N2O2/c1-11(2)7-13(9-16)8-15(19)17-10-12-3-5-14(18)6-4-12/h11-14,18H,3-10,16H2,1-2H3,(H,17,19)
InChIKeyAYIJOZGOGCNQDY-UHFFFAOYSA-N
XLogP1.66
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(3S)-3-(aminomethyl)-5-methylhexanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79525645
2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide
CID 106135774
(3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide
CID 106026147
(3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
CID 106011625
N-[[1-[(3S)-3-(aminomethyl)-5-methylhexanoyl]piperidin-4-yl]methyl]acetamide
CID 102736188
4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
CID 81079716
(3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152919
(3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide
CID 83110554
3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152937
(3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide
CID 83020793
N-[(4-chlorocyclohexyl)methyl]-3-methylbutanamide
CID 106133604
3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
CID 106310633

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide?
The IUPAC name of 3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide (CID 106135609) is 3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide?
The canonical SMILES for 3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide is CC(C)CC(CN)CC(=O)NCC1CCC(O)CC1.
What is the InChIKey of 3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide?
The InChIKey is AYIJOZGOGCNQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11(2)7-13(9-16)8-15(19)17-10-12-3-5-14(18)6-4-12/h11-14,18H,3-10,16H2,1-2H3,(H,17,19).
What are the key properties of 3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide?
3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide has a molecular weight of 270.42 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide is sourced from PubChem (CID 106135609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).