N-(3-methylbutyl)-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]cyclopropanamine

C18H36N2 — CID 79025921

IUPACN-(3-methylbutyl)-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]cyclopropanamine
SMILESCNCC1(CN(CCC(C)C)C2CC2)CCC(C)CC1
InChIInChI=1S/C18H36N2/c1-15(2)9-12-20(17-5-6-17)14-18(13-19-4)10-7-16(3)8-11-18/h15-17,19H,5-14H2,1-4H3
InChIKeyYYDGGDRIGLHGRH-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds8

About N-(3-methylbutyl)-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]cyclopropanamine

N-(3-methylbutyl)-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 79025921) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID79025921
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-(3-methylbutyl)-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]cyclopropanamine
SMILESCNCC1(CN(CCC(C)C)C2CC2)CCC(C)CC1
InChIInChI=1S/C18H36N2/c1-15(2)9-12-20(17-5-6-17)14-18(13-19-4)10-7-16(3)8-11-18/h15-17,19H,5-14H2,1-4H3
InChIKeyYYDGGDRIGLHGRH-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-methylbutyl)-N-[[4-methyl-1-(methylaminomethyl)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-methyl-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]-2-propan-2-yloxyethanamine
CID 81074520
1-[[methyl-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]amino]methyl]cyclopentan-1-ol
CID 114953505
[3-[[cyclopropyl(3-methylbutyl)amino]methyl]oxolan-3-yl]methanol
CID 78987452
2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486759
[4-methyl-1-(methylaminomethyl)cyclohexyl]methanamine
CID 115442703
N'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine
CID 102997145
N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine
CID 62263505
2-[cyclopropyl-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]amino]ethanol
CID 62270783
N-[[5-(methylaminomethyl)furan-2-yl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 78989912
N-[[1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 62260942
N-[[4-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 81063355
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 78991237

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-(3-methylbutyl)-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]cyclopropanamine (CID 79025921) is N-(3-methylbutyl)-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-(3-methylbutyl)-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-(3-methylbutyl)-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]cyclopropanamine is CNCC1(CN(CCC(C)C)C2CC2)CCC(C)CC1.
What is the InChIKey of N-(3-methylbutyl)-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is YYDGGDRIGLHGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-15(2)9-12-20(17-5-6-17)14-18(13-19-4)10-7-16(3)8-11-18/h15-17,19H,5-14H2,1-4H3.
What are the key properties of N-(3-methylbutyl)-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]cyclopropanamine?
N-(3-methylbutyl)-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 79025921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).