2-[4-(aminomethyl)cyclohexyl]-N-(4-methoxybutan-2-yl)acetamide

C14H28N2O2 — CID 64604127

IUPAC2-[4-(aminomethyl)cyclohexyl]-N-(4-methoxybutan-2-yl)acetamide
SMILESCOCCC(C)NC(=O)CC1CCC(CN)CC1
InChIInChI=1S/C14H28N2O2/c1-11(7-8-18-2)16-14(17)9-12-3-5-13(10-15)6-4-12/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyLGLNWGDTTJFMTP-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.68
Rot. Bonds7

About 2-[4-(aminomethyl)cyclohexyl]-N-(4-methoxybutan-2-yl)acetamide

2-[4-(aminomethyl)cyclohexyl]-N-(4-methoxybutan-2-yl)acetamide (PubChem CID 64604127) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[4-(aminomethyl)cyclohexyl]-N-(4-methoxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)cyclohexyl]-N-(4-methoxybutan-2-yl)acetamide
PubChem CID64604127
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[4-(aminomethyl)cyclohexyl]-N-(4-methoxybutan-2-yl)acetamide
SMILESCOCCC(C)NC(=O)CC1CCC(CN)CC1
InChIInChI=1S/C14H28N2O2/c1-11(7-8-18-2)16-14(17)9-12-3-5-13(10-15)6-4-12/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyLGLNWGDTTJFMTP-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide
CID 64603111
2-(cyclopropylmethylamino)-N-(4-methoxybutan-2-yl)acetamide
CID 64606071
2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide
CID 64603511
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methoxybutan-2-yl)acetamide
CID 79615755
N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
CID 120507495
2-methoxy-N-(4-methoxybutan-2-yl)acetamide
CID 62612246
2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide
CID 81168508
2-(4-aminocyclohexyl)-N-heptan-2-ylacetamide
CID 62781706
3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119765560
3-(4-methoxybutan-2-ylamino)-3-oxopropanoic acid
CID 64604730
2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide
CID 55215076
2-(4-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777737

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-(4-methoxybutan-2-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-(4-methoxybutan-2-yl)acetamide (CID 64604127) is 2-[4-(aminomethyl)cyclohexyl]-N-(4-methoxybutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)cyclohexyl]-N-(4-methoxybutan-2-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)cyclohexyl]-N-(4-methoxybutan-2-yl)acetamide is COCCC(C)NC(=O)CC1CCC(CN)CC1.
What is the InChIKey of 2-[4-(aminomethyl)cyclohexyl]-N-(4-methoxybutan-2-yl)acetamide?
The InChIKey is LGLNWGDTTJFMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(7-8-18-2)16-14(17)9-12-3-5-13(10-15)6-4-12/h11-13H,3-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(aminomethyl)cyclohexyl]-N-(4-methoxybutan-2-yl)acetamide?
2-[4-(aminomethyl)cyclohexyl]-N-(4-methoxybutan-2-yl)acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)cyclohexyl]-N-(4-methoxybutan-2-yl)acetamide is sourced from PubChem (CID 64604127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).