trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine

C12H24N2 — CID 70351898

IUPACtrans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine
SMILESCN[C@H]1CCCC[C@@H]1N1CCCCC1
InChIInChI=1S/C12H24N2/c1-13-11-7-3-4-8-12(11)14-9-5-2-6-10-14/h11-13H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeySMPVFJKSQJWXAZ-RYUDHWBXSA-N
MW196.34 g/mol
LogP2.00
Rot. Bonds2

About trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine

trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine (PubChem CID 70351898) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine
PubChem CID70351898
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Nametrans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine
SMILESCN[C@H]1CCCC[C@@H]1N1CCCCC1
InChIInChI=1S/C12H24N2/c1-13-11-7-3-4-8-12(11)14-9-5-2-6-10-14/h11-13H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeySMPVFJKSQJWXAZ-RYUDHWBXSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine
CID 67550021
N-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine
CID 63467436
N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine
CID 62988145
2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine
CID 55032625
N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine
CID 62997233
N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine
CID 63466183
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methylcycloheptan-1-amine
CID 113335649
2-[4-(methoxymethyl)piperidin-1-yl]-N-methylcyclooctan-1-amine
CID 63971324
N-methyl-2-(2-methylpiperidin-1-yl)cyclododecan-1-amine
CID 63464938
N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-amine
CID 62997411
N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine
CID 55158009
N-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-amine
CID 79930958

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine (CID 70351898) is trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine is CN[C@H]1CCCC[C@@H]1N1CCCCC1.
What is the InChIKey of trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine?
The InChIKey is SMPVFJKSQJWXAZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H24N2/c1-13-11-7-3-4-8-12(11)14-9-5-2-6-10-14/h11-13H,2-10H2,1H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine?
trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine is sourced from PubChem (CID 70351898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).