3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride

C12H25ClN2O2 — CID 119790794

IUPAC3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride
SMILESCOC1CCC(CNC(=O)CC(C)N)CC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-9(13)7-12(15)14-8-10-3-5-11(16-2)6-4-10;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H
InChIKeyMHJQXHCXZMFYQO-UHFFFAOYSA-N
MW264.80 g/mol
LogP1.47
Rot. Bonds5

About 3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride

3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride (PubChem CID 119790794) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride
PubChem CID119790794
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride
SMILESCOC1CCC(CNC(=O)CC(C)N)CC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-9(13)7-12(15)14-8-10-3-5-11(16-2)6-4-10;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H
InChIKeyMHJQXHCXZMFYQO-UHFFFAOYSA-N
XLogP1.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide
CID 119327659
4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride
CID 120561038
(4-methoxycyclohexyl)methylcarbamic acid
CID 23147931
3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide
CID 119786339
3-amino-N-(3-cyclopropylpropyl)butanamide
CID 115740565
N-[(4-chlorocyclohexyl)methyl]-3-methylbutanamide
CID 106133604
3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride
CID 119725742
N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 106124369
4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
CID 81079716
3-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]butanamide;hydrochloride
CID 119822651
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride
CID 119874866

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride (CID 119790794) is 3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride is COC1CCC(CNC(=O)CC(C)N)CC1.Cl.
What is the InChIKey of 3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride?
The InChIKey is MHJQXHCXZMFYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-9(13)7-12(15)14-8-10-3-5-11(16-2)6-4-10;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride?
3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119790794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).