2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide

C14H28N2O2 — CID 55215076

IUPAC2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide
SMILESCOCC(C)N(C)C(=O)CC1CCC(CN)CC1
InChIInChI=1S/C14H28N2O2/c1-11(10-18-3)16(2)14(17)8-12-4-6-13(9-15)7-5-12/h11-13H,4-10,15H2,1-3H3
InChIKeySZRJJJQPJQAGSS-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.63
Rot. Bonds6

About 2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide

2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide (PubChem CID 55215076) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide
PubChem CID55215076
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide
SMILESCOCC(C)N(C)C(=O)CC1CCC(CN)CC1
InChIInChI=1S/C14H28N2O2/c1-11(10-18-3)16(2)14(17)8-12-4-6-13(9-15)7-5-12/h11-13H,4-10,15H2,1-3H3
InChIKeySZRJJJQPJQAGSS-UHFFFAOYSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminocyclohexyl)-N-(1-methoxypropan-2-yl)-N-methylacetamide
CID 62783083
2-(4-aminocyclohexyl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide
CID 62781925
4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide
CID 103155184
N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide
CID 115737376
2-(4-aminopiperidin-1-yl)-N-(1-methoxypropan-2-yl)-N-methylacetamide
CID 79327713
N-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide
CID 103161435
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide
CID 103163701
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide
CID 76987659
N-(1-methoxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 60794013
ethyl 2-[4-(aminomethyl)cyclohexyl]acetate
CID 70333182
2-[4-(aminomethyl)cyclohexyl]-N-(4-methoxybutan-2-yl)acetamide
CID 64604127
5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpentanamide
CID 79198964

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide (CID 55215076) is 2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide is COCC(C)N(C)C(=O)CC1CCC(CN)CC1.
What is the InChIKey of 2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide?
The InChIKey is SZRJJJQPJQAGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(10-18-3)16(2)14(17)8-12-4-6-13(9-15)7-5-12/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide?
2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide has a molecular weight of 256.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 55215076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).