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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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).