4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine

C16H32N2 — CID 43178248

IUPAC4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine
SMILESCC1CCC(NCCCN2CCCCC2C)CC1
InChIInChI=1S/C16H32N2/c1-14-7-9-16(10-8-14)17-11-5-13-18-12-4-3-6-15(18)2/h14-17H,3-13H2,1-2H3
InChIKeyNSZPBQBLWOYGNO-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds5

About 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine

4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine (PubChem CID 43178248) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine
PubChem CID43178248
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine
SMILESCC1CCC(NCCCN2CCCCC2C)CC1
InChIInChI=1S/C16H32N2/c1-14-7-9-16(10-8-14)17-11-5-13-18-12-4-3-6-15(18)2/h14-17H,3-13H2,1-2H3
InChIKeyNSZPBQBLWOYGNO-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4'-Methylenebis(N-sec-butylcyclohexamine)
CID 21885336
N,1-dimethyl-N-(4-methylcyclohexyl)-4-piperidinamine
CID 2846435
N-(cyclohexylmethyl)-1-ethylpiperidin-4-amine
CID 2846481
1-(4-Methyl-cyclohexyl)-piperazinehydrochloride
CID 16188159
N-[1-(2-cyclohexylethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389041
(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
1-methyl-N-(2-methylcyclohexyl)piperidin-4-amine
CID 2846586
1-(Cyclohexylmethyl)piperidin-4-amine
CID 6496941
N1-(Cyclohexylmethyl)-1,4-piperazinedipropanamine
CID 44286854
N-[1-(cyclohexylmethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389022
N'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine;hydrochloride
CID 90674839
3-Butyl-1-cyclohexylpiperidin-4-amine
CID 11659120

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine (CID 43178248) is 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine is CC1CCC(NCCCN2CCCCC2C)CC1.
What is the InChIKey of 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine?
The InChIKey is NSZPBQBLWOYGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14-7-9-16(10-8-14)17-11-5-13-18-12-4-3-6-15(18)2/h14-17H,3-13H2,1-2H3.
What are the key properties of 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine?
4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 43178248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).