4-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride

C15H31ClN2 — CID 120898331

IUPAC4-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride
SMILESCCC1CCC(N(C)CC2(C)CCNC2)CC1.Cl
InChIInChI=1S/C15H30N2.ClH/c1-4-13-5-7-14(8-6-13)17(3)12-15(2)9-10-16-11-15;/h13-14,16H,4-12H2,1-3H3;1H
InChIKeyZGTJHPLBJOCAJU-UHFFFAOYSA-N
MW274.88 g/mol
LogP3.31
Rot. Bonds4

About 4-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride

4-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride (PubChem CID 120898331) has the molecular formula C15H31ClN2 and a molecular weight of 274.88 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride
PubChem CID120898331
Molecular FormulaC15H31ClN2
Molecular Weight274.88 g/mol
Exact Mass274.22
IUPAC Name4-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride
SMILESCCC1CCC(N(C)CC2(C)CCNC2)CC1.Cl
InChIInChI=1S/C15H30N2.ClH/c1-4-13-5-7-14(8-6-13)17(3)12-15(2)9-10-16-11-15;/h13-14,16H,4-12H2,1-3H3;1H
InChIKeyZGTJHPLBJOCAJU-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.88
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine
CID 63143290
N,3-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride
CID 120898335
1-cyclobutyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 63143005
N-(cyclopropylmethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexanamine
CID 120899766
(4-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570043
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63143016
2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride
CID 120902061
1-cyclopropyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 63142688
N-methyl-1-(1-methylpiperidin-3-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120898710
N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine
CID 120901428
N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
CID 120898289
N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63701115

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride (CID 120898331) is 4-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride is CCC1CCC(N(C)CC2(C)CCNC2)CC1.Cl.
What is the InChIKey of 4-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride?
The InChIKey is ZGTJHPLBJOCAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.ClH/c1-4-13-5-7-14(8-6-13)17(3)12-15(2)9-10-16-11-15;/h13-14,16H,4-12H2,1-3H3;1H.
What are the key properties of 4-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride?
4-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride has a molecular weight of 274.88 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 120898331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).