[(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine

C14H28N2 — CID 97052114

IUPAC[(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine
SMILESNC[C@@H]1CCCCN1CCC1CCCCC1
InChIInChI=1S/C14H28N2/c15-12-14-8-4-5-10-16(14)11-9-13-6-2-1-3-7-13/h13-14H,1-12,15H2/t14-/m0/s1
InChIKeyIHKDFWVNUVZLGG-AWEZNQCLSA-N
MW224.39 g/mol
LogP2.77
Rot. Bonds4

About [(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine

[(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine (PubChem CID 97052114) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is [(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine
PubChem CID97052114
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name[(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine
SMILESNC[C@@H]1CCCCN1CCC1CCCCC1
InChIInChI=1S/C14H28N2/c15-12-14-8-4-5-10-16(14)11-9-13-6-2-1-3-7-13/h13-14H,1-12,15H2/t14-/m0/s1
InChIKeyIHKDFWVNUVZLGG-AWEZNQCLSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine
CID 81493135
[1-(2-cyclopropylethyl)azepan-2-yl]methanamine
CID 116640428
[1-(2-cyclohexylethyl)azepan-2-yl]methanol
CID 114192428
(1-butylazepan-2-yl)methanamine
CID 116640391
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 64566095
4-[2-(aminomethyl)azepan-1-yl]butan-1-ol
CID 116640497
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride
CID 119916056
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azepan-2-yl]methanamine
CID 116640435
[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493948
(1-dodecylazepan-2-yl)methanamine
CID 116640397
3-amino-N-[[1-(2-cyclohexylethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581306
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine
CID 112589800

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine (CID 97052114) is [(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine is NC[C@@H]1CCCCN1CCC1CCCCC1.
What is the InChIKey of [(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine?
The InChIKey is IHKDFWVNUVZLGG-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H28N2/c15-12-14-8-4-5-10-16(14)11-9-13-6-2-1-3-7-13/h13-14H,1-12,15H2/t14-/m0/s1.
What are the key properties of [(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine?
[(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine has a molecular weight of 224.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 97052114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).