N,N-bis(cyclohexylmethyl)-2-(1-methylpiperidin-1-ium-2-yl)ethanamine

C22H43N2+ — CID 171384523

IUPACN,N-bis(cyclohexylmethyl)-2-(1-methylpiperidin-1-ium-2-yl)ethanamine
SMILESC[NH+]1CCCCC1CCN(CC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C22H42N2/c1-23-16-9-8-14-22(23)15-17-24(18-20-10-4-2-5-11-20)19-21-12-6-3-7-13-21/h20-22H,2-19H2,1H3/p+1
InChIKeyDTRAAFGZEFRUTK-UHFFFAOYSA-O
MW335.60 g/mol
LogP3.91
Rot. Bonds7

About N,N-bis(cyclohexylmethyl)-2-(1-methylpiperidin-1-ium-2-yl)ethanamine

N,N-bis(cyclohexylmethyl)-2-(1-methylpiperidin-1-ium-2-yl)ethanamine (PubChem CID 171384523) has the molecular formula C22H43N2+ and a molecular weight of 335.60 g/mol. Its IUPAC name is N,N-bis(cyclohexylmethyl)-2-(1-methylpiperidin-1-ium-2-yl)ethanamine.

Molecular Properties

Compound NameN,N-bis(cyclohexylmethyl)-2-(1-methylpiperidin-1-ium-2-yl)ethanamine
PubChem CID171384523
Molecular FormulaC22H43N2+
Molecular Weight335.60 g/mol
Exact Mass335.34
IUPAC NameN,N-bis(cyclohexylmethyl)-2-(1-methylpiperidin-1-ium-2-yl)ethanamine
SMILESC[NH+]1CCCCC1CCN(CC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C22H42N2/c1-23-16-9-8-14-22(23)15-17-24(18-20-10-4-2-5-11-20)19-21-12-6-3-7-13-21/h20-22H,2-19H2,1H3/p+1
InChIKeyDTRAAFGZEFRUTK-UHFFFAOYSA-O
XLogP3.91
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.60
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Perhexiline
CID 4746
Perhexiline, (S)-
CID 6604329
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
N-(cyclohexylmethyl)-3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propan-1-amine
CID 11741263
1-(Cyclohexylmethyl)piperidin-4-amine
CID 6496941
Perhexiline, (R)-
CID 38988177
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 N,N-bis(cyclohexylmethyl)-2-(1-methylpiperidin-1-ium-2-yl)ethanamine?
The IUPAC name of N,N-bis(cyclohexylmethyl)-2-(1-methylpiperidin-1-ium-2-yl)ethanamine (CID 171384523) is N,N-bis(cyclohexylmethyl)-2-(1-methylpiperidin-1-ium-2-yl)ethanamine.
What is the SMILES notation for N,N-bis(cyclohexylmethyl)-2-(1-methylpiperidin-1-ium-2-yl)ethanamine?
The canonical SMILES for N,N-bis(cyclohexylmethyl)-2-(1-methylpiperidin-1-ium-2-yl)ethanamine is C[NH+]1CCCCC1CCN(CC1CCCCC1)CC1CCCCC1.
What is the InChIKey of N,N-bis(cyclohexylmethyl)-2-(1-methylpiperidin-1-ium-2-yl)ethanamine?
The InChIKey is DTRAAFGZEFRUTK-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H42N2/c1-23-16-9-8-14-22(23)15-17-24(18-20-10-4-2-5-11-20)19-21-12-6-3-7-13-21/h20-22H,2-19H2,1H3/p+1.
What are the key properties of N,N-bis(cyclohexylmethyl)-2-(1-methylpiperidin-1-ium-2-yl)ethanamine?
N,N-bis(cyclohexylmethyl)-2-(1-methylpiperidin-1-ium-2-yl)ethanamine has a molecular weight of 335.60 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclohexylmethyl)-2-(1-methylpiperidin-1-ium-2-yl)ethanamine is sourced from PubChem (CID 171384523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).