[1-(3,4-dimethylpyrrolidin-1-yl)-2-ethylcyclohexyl]methanamine

C15H30N2 — CID 79188119

IUPAC[1-(3,4-dimethylpyrrolidin-1-yl)-2-ethylcyclohexyl]methanamine
SMILESCCC1CCCCC1(CN)N1CC(C)C(C)C1
InChIInChI=1S/C15H30N2/c1-4-14-7-5-6-8-15(14,11-16)17-9-12(2)13(3)10-17/h12-14H,4-11,16H2,1-3H3
InChIKeyPTLMMXCGTSVPAM-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.87
Rot. Bonds3

About [1-(3,4-dimethylpyrrolidin-1-yl)-2-ethylcyclohexyl]methanamine

[1-(3,4-dimethylpyrrolidin-1-yl)-2-ethylcyclohexyl]methanamine (PubChem CID 79188119) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is [1-(3,4-dimethylpyrrolidin-1-yl)-2-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dimethylpyrrolidin-1-yl)-2-ethylcyclohexyl]methanamine
PubChem CID79188119
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name[1-(3,4-dimethylpyrrolidin-1-yl)-2-ethylcyclohexyl]methanamine
SMILESCCC1CCCCC1(CN)N1CC(C)C(C)C1
InChIInChI=1S/C15H30N2/c1-4-14-7-5-6-8-15(14,11-16)17-9-12(2)13(3)10-17/h12-14H,4-11,16H2,1-3H3
InChIKeyPTLMMXCGTSVPAM-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-ethyl-1-[3-(methoxymethyl)piperidin-1-yl]cyclohexyl]methanamine
CID 106586356
1-[1-(aminomethyl)-2-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464797
[1-(4-ethoxypiperidin-1-yl)-2-ethylcyclopentyl]methanamine
CID 113483717
(1-ethyl-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
CID 123617819
[1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 79188215
1-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465442
[2-ethyl-1-(3-methoxy-3-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 107391328
[1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 82853079
[1-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine
CID 79188486
[1-(4-ethoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine
CID 61218986
[1-(2-ethylmorpholin-4-yl)-2,3-dimethylcyclohexyl]methanamine
CID 64761345
[1-(4-cyclopropylpiperazin-1-yl)-2-methylcyclohexyl]methanamine
CID 61440866

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylpyrrolidin-1-yl)-2-ethylcyclohexyl]methanamine?
The IUPAC name of [1-(3,4-dimethylpyrrolidin-1-yl)-2-ethylcyclohexyl]methanamine (CID 79188119) is [1-(3,4-dimethylpyrrolidin-1-yl)-2-ethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3,4-dimethylpyrrolidin-1-yl)-2-ethylcyclohexyl]methanamine?
The canonical SMILES for [1-(3,4-dimethylpyrrolidin-1-yl)-2-ethylcyclohexyl]methanamine is CCC1CCCCC1(CN)N1CC(C)C(C)C1.
What is the InChIKey of [1-(3,4-dimethylpyrrolidin-1-yl)-2-ethylcyclohexyl]methanamine?
The InChIKey is PTLMMXCGTSVPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-14-7-5-6-8-15(14,11-16)17-9-12(2)13(3)10-17/h12-14H,4-11,16H2,1-3H3.
What are the key properties of [1-(3,4-dimethylpyrrolidin-1-yl)-2-ethylcyclohexyl]methanamine?
[1-(3,4-dimethylpyrrolidin-1-yl)-2-ethylcyclohexyl]methanamine has a molecular weight of 238.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylpyrrolidin-1-yl)-2-ethylcyclohexyl]methanamine is sourced from PubChem (CID 79188119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).