N-[1-(aminomethyl)-4-methylcyclohexyl]-2-propoxyacetamide

C13H26N2O2 — CID 107941605

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NC1(CN)CCC(C)CC1
InChIInChI=1S/C13H26N2O2/c1-3-8-17-9-12(16)15-13(10-14)6-4-11(2)5-7-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeySFVITCSDMSJEEY-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds6

About N-[1-(aminomethyl)-4-methylcyclohexyl]-2-propoxyacetamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-2-propoxyacetamide (PubChem CID 107941605) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-2-propoxyacetamide
PubChem CID107941605
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NC1(CN)CCC(C)CC1
InChIInChI=1S/C13H26N2O2/c1-3-8-17-9-12(16)15-13(10-14)6-4-11(2)5-7-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeySFVITCSDMSJEEY-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(aminomethyl)-4-methylcyclohexyl]butanamide
CID 63766676
N-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide
CID 103881092
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutanamide
CID 103022522
N-[1-(aminomethyl)-4-methylcyclohexyl]cyclopentanecarboxamide
CID 55241583
3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea
CID 79154068
propan-2-yl N-[1-(aminomethyl)-4-methylcyclohexyl]carbamate
CID 63765786
N-[4-(bromomethyl)oxan-4-yl]-2-propoxyacetamide
CID 106301018
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 63767805
propyl 1-(aminomethyl)-4-methylcyclohexane-1-carboxylate
CID 115442863
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-ethoxybenzamide
CID 63765711
N-[1-(aminomethyl)cyclopentyl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride
CID 119568443
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
CID 107941625

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-propoxyacetamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-propoxyacetamide (CID 107941605) is N-[1-(aminomethyl)-4-methylcyclohexyl]-2-propoxyacetamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-2-propoxyacetamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-2-propoxyacetamide is CCCOCC(=O)NC1(CN)CCC(C)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-propoxyacetamide?
The InChIKey is SFVITCSDMSJEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-8-17-9-12(16)15-13(10-14)6-4-11(2)5-7-13/h11H,3-10,14H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-propoxyacetamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-propoxyacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 6 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]-2-propoxyacetamide is sourced from PubChem (CID 107941605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).