(2S)-2-[(3-pentylpiperidin-1-yl)methyl]cyclohexan-1-amine

C17H34N2 — CID 143571311

IUPAC(2S)-2-[(3-pentylpiperidin-1-yl)methyl]cyclohexan-1-amine
SMILESCCCCCC1CCCN(C[C@@H]2CCCCC2N)C1
InChIInChI=1S/C17H34N2/c1-2-3-4-8-15-9-7-12-19(13-15)14-16-10-5-6-11-17(16)18/h15-17H,2-14,18H2,1H3/t15?,16-,17?/m0/s1
InChIKeyZEWPLCRKEFTYKS-CGZBRXJRSA-N
MW266.47 g/mol
LogP3.80
Rot. Bonds6

About (2S)-2-[(3-pentylpiperidin-1-yl)methyl]cyclohexan-1-amine

(2S)-2-[(3-pentylpiperidin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 143571311) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is (2S)-2-[(3-pentylpiperidin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name(2S)-2-[(3-pentylpiperidin-1-yl)methyl]cyclohexan-1-amine
PubChem CID143571311
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name(2S)-2-[(3-pentylpiperidin-1-yl)methyl]cyclohexan-1-amine
SMILESCCCCCC1CCCN(C[C@@H]2CCCCC2N)C1
InChIInChI=1S/C17H34N2/c1-2-3-4-8-15-9-7-12-19(13-15)14-16-10-5-6-11-17(16)18/h15-17H,2-14,18H2,1H3/t15?,16-,17?/m0/s1
InChIKeyZEWPLCRKEFTYKS-CGZBRXJRSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.80
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

N-(cyclohexylmethyl)-1-ethylpiperidin-4-amine
CID 2846481
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
2-[(Diethylamino)methyl]cyclohexan-1-amine
CID 23009041
1-(Cyclohexylmethyl)piperidin-4-amine
CID 6496941
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
1-(4-Methylcyclohexyl)piperidin-4-amine
CID 24699417
I(2)-Cyclohexyl-4-methyl-1-piperazineethanamine
CID 16789275
5-Methyl-5-azabicyclo[4.4.0]dec-2-ylamine
CID 4912809

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-pentylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of (2S)-2-[(3-pentylpiperidin-1-yl)methyl]cyclohexan-1-amine (CID 143571311) is (2S)-2-[(3-pentylpiperidin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for (2S)-2-[(3-pentylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for (2S)-2-[(3-pentylpiperidin-1-yl)methyl]cyclohexan-1-amine is CCCCCC1CCCN(C[C@@H]2CCCCC2N)C1.
What is the InChIKey of (2S)-2-[(3-pentylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is ZEWPLCRKEFTYKS-CGZBRXJRSA-N. The full InChI is InChI=1S/C17H34N2/c1-2-3-4-8-15-9-7-12-19(13-15)14-16-10-5-6-11-17(16)18/h15-17H,2-14,18H2,1H3/t15?,16-,17?/m0/s1.
What are the key properties of (2S)-2-[(3-pentylpiperidin-1-yl)methyl]cyclohexan-1-amine?
(2S)-2-[(3-pentylpiperidin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-pentylpiperidin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 143571311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).