N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine

C18H34N2 — CID 83220975

IUPACN-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(C)N1CC1(CNC2CC2)CCCCC1
InChIInChI=1S/C18H34N2/c1-3-17-10-7-15(2)20(17)14-18(11-5-4-6-12-18)13-19-16-8-9-16/h15-17,19H,3-14H2,1-2H3
InChIKeyTVLHJXVUDFAHDE-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.95
Rot. Bonds6

About N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine

N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine (PubChem CID 83220975) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine
PubChem CID83220975
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(C)N1CC1(CNC2CC2)CCCCC1
InChIInChI=1S/C18H34N2/c1-3-17-10-7-15(2)20(17)14-18(11-5-4-6-12-18)13-19-16-8-9-16/h15-17,19H,3-14H2,1-2H3
InChIKeyTVLHJXVUDFAHDE-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 83221379
N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 83220137
N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 83221374
[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
CID 83221060
[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclobutyl]methanethiol
CID 83223920
3-ethyl-3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]piperidine
CID 83219848
N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 83221462
N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 83221694
N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 83221053
N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 65282297
[1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789487
N-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine
CID 83221067

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine (CID 83220975) is N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine is CCC1CCC(C)N1CC1(CNC2CC2)CCCCC1.
What is the InChIKey of N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine?
The InChIKey is TVLHJXVUDFAHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-3-17-10-7-15(2)20(17)14-18(11-5-4-6-12-18)13-19-16-8-9-16/h15-17,19H,3-14H2,1-2H3.
What are the key properties of N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine?
N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine has a molecular weight of 278.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 83220975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).