N-[1-(aminomethyl)cyclohexyl]-2-methoxy-2-methylbutanamide

C13H26N2O2 — CID 114106377

IUPACN-[1-(aminomethyl)cyclohexyl]-2-methoxy-2-methylbutanamide
SMILESCCC(C)(OC)C(=O)NC1(CN)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-4-12(2,17-3)11(16)15-13(10-14)8-6-5-7-9-13/h4-10,14H2,1-3H3,(H,15,16)
InChIKeyNYOCIMYBDHWWRF-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.58
Rot. Bonds5

About N-[1-(aminomethyl)cyclohexyl]-2-methoxy-2-methylbutanamide

N-[1-(aminomethyl)cyclohexyl]-2-methoxy-2-methylbutanamide (PubChem CID 114106377) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-2-methoxy-2-methylbutanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-2-methoxy-2-methylbutanamide
PubChem CID114106377
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-2-methoxy-2-methylbutanamide
SMILESCCC(C)(OC)C(=O)NC1(CN)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-4-12(2,17-3)11(16)15-13(10-14)8-6-5-7-9-13/h4-10,14H2,1-3H3,(H,15,16)
InChIKeyNYOCIMYBDHWWRF-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide
CID 125521631
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-propan-2-yloxyacetamide
CID 48131220
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-propoxyacetamide
CID 48652417
tert-butyl N-[1-[[(2-methoxyacetyl)amino]methyl]cyclohexyl]carbamate
CID 53565034
N-{[1-(dimethylamino)cyclohexyl]methyl}-2-methoxyacetamide
CID 60635738
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-ethoxyacetamide
CID 60635749
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methoxyacetamide
CID 63754037
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxyacetamide
CID 63754040
N-[1-(aminomethyl)cyclohexyl]-2-methoxyacetamide
CID 63755662
N-[1-(aminomethyl)cyclohexyl]-2-ethoxyacetamide
CID 63755664
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-ethoxyacetamide
CID 63765148
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methoxyacetamide
CID 63767803

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-methoxy-2-methylbutanamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-methoxy-2-methylbutanamide (CID 114106377) is N-[1-(aminomethyl)cyclohexyl]-2-methoxy-2-methylbutanamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-2-methoxy-2-methylbutanamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-2-methoxy-2-methylbutanamide is CCC(C)(OC)C(=O)NC1(CN)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-2-methoxy-2-methylbutanamide?
The InChIKey is NYOCIMYBDHWWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-12(2,17-3)11(16)15-13(10-14)8-6-5-7-9-13/h4-10,14H2,1-3H3,(H,15,16).
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-2-methoxy-2-methylbutanamide?
N-[1-(aminomethyl)cyclohexyl]-2-methoxy-2-methylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-2-methoxy-2-methylbutanamide is sourced from PubChem (CID 114106377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).