N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine

C16H33N — CID 114201229

IUPACN-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine
SMILESCC(C)CC(C)CC(CNC1CC1)CC(C)C
InChIInChI=1S/C16H33N/c1-12(2)8-14(5)10-15(9-13(3)4)11-17-16-6-7-16/h12-17H,6-11H2,1-5H3
InChIKeyWYWPSDYJWUYUND-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.47
Rot. Bonds9

About N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine

N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine (PubChem CID 114201229) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine
PubChem CID114201229
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine
SMILESCC(C)CC(C)CC(CNC1CC1)CC(C)C
InChIInChI=1S/C16H33N/c1-12(2)8-14(5)10-15(9-13(3)4)11-17-16-6-7-16/h12-17H,6-11H2,1-5H3
InChIKeyWYWPSDYJWUYUND-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]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-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine
CID 62530308
N-(2-cyclopentyl-4,6-dimethylheptyl)cyclopropanamine
CID 114201281
N-[2-(2-methylpropyl)undecyl]cyclopropanamine
CID 63497802
N-(2,3,5-trimethylhexyl)cyclopropanamine
CID 81016378
N-[4-methyl-2-(2-phenylsulfanylethyl)pentyl]cyclopropanamine
CID 79228483
N-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine
CID 55082814
N-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine
CID 103412314
N-[2-methyl-3-(3-methylbutylsulfanyl)propyl]cyclopropanamine
CID 107754168
N-[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
CID 79708694
3-[(cycloheptylamino)methyl]-5-methylhexanoic acid
CID 82932880
N-[(4S)-2,4-dimethylhexyl]cyclopropanamine
CID 142895112
N-(2-cyclohexyl-4-methylpentyl)cyclopropanamine
CID 82931479

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine?
The IUPAC name of N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine (CID 114201229) is N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine.
What is the SMILES notation for N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine?
The canonical SMILES for N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine is CC(C)CC(C)CC(CNC1CC1)CC(C)C.
What is the InChIKey of N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine?
The InChIKey is WYWPSDYJWUYUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-12(2)8-14(5)10-15(9-13(3)4)11-17-16-6-7-16/h12-17H,6-11H2,1-5H3.
What are the key properties of N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine?
N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine has a molecular weight of 239.45 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine is sourced from PubChem (CID 114201229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).