N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutanamide

C14H28N2O2 — CID 103022522

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NC1(CN)CCC(C)CC1
InChIInChI=1S/C14H28N2O2/c1-11-5-7-14(10-15,8-6-11)16-12(17)9-13(2,3)18-4/h11H,5-10,15H2,1-4H3,(H,16,17)
InChIKeyUWXPKYASIYYEBP-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.83
Rot. Bonds5

About N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutanamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutanamide (PubChem CID 103022522) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutanamide
PubChem CID103022522
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NC1(CN)CCC(C)CC1
InChIInChI=1S/C14H28N2O2/c1-11-5-7-14(10-15,8-6-11)16-12(17)9-13(2,3)18-4/h11H,5-10,15H2,1-4H3,(H,16,17)
InChIKeyUWXPKYASIYYEBP-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)oxan-4-yl]-3-methoxy-3-methylbutanamide
CID 106297328
N-[1-(aminomethyl)-4-methylcyclohexyl]butanamide
CID 63766676
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-propoxyacetamide
CID 107941605
3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea
CID 79154068
propan-2-yl N-[1-(aminomethyl)-4-methylcyclohexyl]carbamate
CID 63765786
N-[1-(aminomethyl)-4-methylcyclohexyl]cyclopentanecarboxamide
CID 55241583
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 63767805
N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119565263
(3-methoxy-3-methylbutyl) 1-(aminomethyl)-4-methylcyclohexane-1-carboxylate
CID 106666096
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-methoxy-3-methylbutanamide
CID 103022557
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide
CID 63766094
1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol
CID 106676604

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutanamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutanamide (CID 103022522) is N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)NC1(CN)CCC(C)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutanamide?
The InChIKey is UWXPKYASIYYEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11-5-7-14(10-15,8-6-11)16-12(17)9-13(2,3)18-4/h11H,5-10,15H2,1-4H3,(H,16,17).
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutanamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutanamide has a molecular weight of 256.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103022522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).