N-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine

C17H33NO — CID 63492299

IUPACN-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine
SMILESCC1CC(OC(CNC2CC2)C(C)C)CC(C)(C)C1
InChIInChI=1S/C17H33NO/c1-12(2)16(11-18-14-6-7-14)19-15-8-13(3)9-17(4,5)10-15/h12-16,18H,6-11H2,1-5H3
InChIKeyQHAKTZZBFXHXGO-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.99
Rot. Bonds6

About N-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine

N-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine (PubChem CID 63492299) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine
PubChem CID63492299
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine
SMILESCC1CC(OC(CNC2CC2)C(C)C)CC(C)(C)C1
InChIInChI=1S/C17H33NO/c1-12(2)16(11-18-14-6-7-14)19-15-8-13(3)9-17(4,5)10-15/h12-16,18H,6-11H2,1-5H3
InChIKeyQHAKTZZBFXHXGO-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]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

3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 63492137
N-ethyl-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 62456955
N-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine
CID 83044983
3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 62457350
3-amino-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-ol
CID 64899608
(2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol
CID 103884021
3-(3-bromo-1,4-dichlorobutan-2-yl)oxy-1,1,5-trimethylcyclohexane
CID 114773351
4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine
CID 64708543
N-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine
CID 62445305
N-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine
CID 83044629
4-methyl-1-[(3,3,5-trimethylcyclohexyl)amino]pentan-2-ol
CID 103698837
N-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
CID 66357222

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine?
The IUPAC name of N-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine (CID 63492299) is N-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine.
What is the SMILES notation for N-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine?
The canonical SMILES for N-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine is CC1CC(OC(CNC2CC2)C(C)C)CC(C)(C)C1.
What is the InChIKey of N-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine?
The InChIKey is QHAKTZZBFXHXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-12(2)16(11-18-14-6-7-14)19-15-8-13(3)9-17(4,5)10-15/h12-16,18H,6-11H2,1-5H3.
What are the key properties of N-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine?
N-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine has a molecular weight of 267.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine is sourced from PubChem (CID 63492299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).