N-[[2-(2-ethylbutyl)cycloheptyl]methyl]cyclopropanamine

C17H33N — CID 82935825

IUPACN-[[2-(2-ethylbutyl)cycloheptyl]methyl]cyclopropanamine
SMILESCCC(CC)CC1CCCCCC1CNC1CC1
InChIInChI=1S/C17H33N/c1-3-14(4-2)12-15-8-6-5-7-9-16(15)13-18-17-10-11-17/h14-18H,3-13H2,1-2H3
InChIKeyRGBAXBXXDQSVCP-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.76
Rot. Bonds7

About N-[[2-(2-ethylbutyl)cycloheptyl]methyl]cyclopropanamine

N-[[2-(2-ethylbutyl)cycloheptyl]methyl]cyclopropanamine (PubChem CID 82935825) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-[[2-(2-ethylbutyl)cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-ethylbutyl)cycloheptyl]methyl]cyclopropanamine
PubChem CID82935825
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-[[2-(2-ethylbutyl)cycloheptyl]methyl]cyclopropanamine
SMILESCCC(CC)CC1CCCCCC1CNC1CC1
InChIInChI=1S/C17H33N/c1-3-14(4-2)12-15-8-6-5-7-9-16(15)13-18-17-10-11-17/h14-18H,3-13H2,1-2H3
InChIKeyRGBAXBXXDQSVCP-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-(2-ethylbutyl)cycloheptyl]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-[(2-propylcycloheptyl)methyl]cyclopropanamine
CID 81026279
2-(2-ethylbutyl)-N-propylcyclohexan-1-amine
CID 82930093
trans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine
CID 66594618
N-[(2-cycloheptylcycloheptyl)methyl]cyclopropanamine
CID 82935728
N-[(2-methylcyclopentyl)methyl]cyclooctanamine
CID 107417462
N-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024041
N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine
CID 81024849
2-(2-ethylbutyl)cyclopentan-1-amine
CID 82929717
N-[(2-octylcyclopentyl)methyl]cyclopropanamine
CID 81033237
2-[(cycloheptylamino)methyl]cyclohexan-1-ol
CID 64928206
1-bromo-2-(2-ethylbutyl)cyclopentane
CID 82929575
N-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine
CID 81027427

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylbutyl)cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-ethylbutyl)cycloheptyl]methyl]cyclopropanamine (CID 82935825) is N-[[2-(2-ethylbutyl)cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-ethylbutyl)cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-ethylbutyl)cycloheptyl]methyl]cyclopropanamine is CCC(CC)CC1CCCCCC1CNC1CC1.
What is the InChIKey of N-[[2-(2-ethylbutyl)cycloheptyl]methyl]cyclopropanamine?
The InChIKey is RGBAXBXXDQSVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-3-14(4-2)12-15-8-6-5-7-9-16(15)13-18-17-10-11-17/h14-18H,3-13H2,1-2H3.
What are the key properties of N-[[2-(2-ethylbutyl)cycloheptyl]methyl]cyclopropanamine?
N-[[2-(2-ethylbutyl)cycloheptyl]methyl]cyclopropanamine has a molecular weight of 251.46 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylbutyl)cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 82935825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).