2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine

C19H38N2 — CID 79059842

IUPAC2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCCNC(C1CCC(C)CC1)C(C)(CC)N1CCCC1
InChIInChI=1S/C19H38N2/c1-5-13-20-18(17-11-9-16(3)10-12-17)19(4,6-2)21-14-7-8-15-21/h16-18,20H,5-15H2,1-4H3
InChIKeyTVYNVAGLPYXUGD-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.45
Rot. Bonds7

About 2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine

2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79059842) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79059842
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCCNC(C1CCC(C)CC1)C(C)(CC)N1CCCC1
InChIInChI=1S/C19H38N2/c1-5-13-20-18(17-11-9-16(3)10-12-17)19(4,6-2)21-14-7-8-15-21/h16-18,20H,5-15H2,1-4H3
InChIKeyTVYNVAGLPYXUGD-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056243
N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069201
2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine
CID 79065521
2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-yl-N-propylpropan-1-amine
CID 79051479
N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine
CID 79060672
(1-cyclopentyl-2-methyl-2-pyrrolidin-1-ylbutyl)hydrazine
CID 105241054
1-(4-ethylcyclohexyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79060660
1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine
CID 64986880
3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine
CID 79069357
N,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069582
N,2-dimethyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069344
[2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241067

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine (CID 79059842) is 2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine is CCCNC(C1CCC(C)CC1)C(C)(CC)N1CCCC1.
What is the InChIKey of 2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is TVYNVAGLPYXUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-5-13-20-18(17-11-9-16(3)10-12-17)19(4,6-2)21-14-7-8-15-21/h16-18,20H,5-15H2,1-4H3.
What are the key properties of 2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79059842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).