N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine

C19H31N — CID 65308491

IUPACN-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine
SMILESCCC(C)c1ccc(CCC(C)(C)CNC2CC2)cc1
InChIInChI=1S/C19H31N/c1-5-15(2)17-8-6-16(7-9-17)12-13-19(3,4)14-20-18-10-11-18/h6-9,15,18,20H,5,10-14H2,1-4H3
InChIKeyQUUGUXROZPRREV-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.91
Rot. Bonds8

About N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine

N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine (PubChem CID 65308491) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine
PubChem CID65308491
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine
SMILESCCC(C)c1ccc(CCC(C)(C)CNC2CC2)cc1
InChIInChI=1S/C19H31N/c1-5-15(2)17-8-6-16(7-9-17)12-13-19(3,4)14-20-18-10-11-18/h6-9,15,18,20H,5,10-14H2,1-4H3
InChIKeyQUUGUXROZPRREV-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]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-(4-butan-2-ylphenyl)ethyl]cyclopropanamine
CID 82262237
N-[4-(4-ethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308897
N-[4-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308901
4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 115149482
N-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine
CID 115118986
4-[2-(4-butan-2-ylphenyl)ethyl]piperidine
CID 116925672
N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304298
4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926323
N-(2,2,5-trimethylhexyl)cyclopropanamine
CID 62724341
4-butan-2-yl-N-cyclopentylaniline
CID 43681058
4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine
CID 79724803
N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346741

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine (CID 65308491) is N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine is CCC(C)c1ccc(CCC(C)(C)CNC2CC2)cc1.
What is the InChIKey of N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine?
The InChIKey is QUUGUXROZPRREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-15(2)17-8-6-16(7-9-17)12-13-19(3,4)14-20-18-10-11-18/h6-9,15,18,20H,5,10-14H2,1-4H3.
What are the key properties of N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine?
N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine has a molecular weight of 273.46 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 65308491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).