N-[2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine

C18H29N — CID 83138940

IUPACN-[2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine
SMILESCc1cc(C)cc(CC(CNC2CC2)C(C)(C)C)c1
InChIInChI=1S/C18H29N/c1-13-8-14(2)10-15(9-13)11-16(18(3,4)5)12-19-17-6-7-17/h8-10,16-17,19H,6-7,11-12H2,1-5H3
InChIKeyDRIKUUQQSZDTMQ-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.26
Rot. Bonds5

About N-[2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine

N-[2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine (PubChem CID 83138940) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine
PubChem CID83138940
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine
SMILESCc1cc(C)cc(CC(CNC2CC2)C(C)(C)C)c1
InChIInChI=1S/C18H29N/c1-13-8-14(2)10-15(9-13)11-16(18(3,4)5)12-19-17-6-7-17/h8-10,16-17,19H,6-7,11-12H2,1-5H3
InChIKeyDRIKUUQQSZDTMQ-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-[(3,5-dimethylphenyl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83138801
N-[2-[(3-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine
CID 83138740
N-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine
CID 83138742
N-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine
CID 83139327
2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutan-1-ol
CID 83138776
N-(2-tert-butyl-5-phenylpentyl)cyclopropanamine
CID 83139717
N-[(3,5-dimethylphenyl)methyl]cyclobutanamine
CID 62414754
N-[2-(ethoxymethyl)-3,3-dimethylbutyl]cyclopropanamine
CID 103984909
N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 62531282
N-[(3,5-dimethylphenyl)methyl]cyclohexanamine
CID 60683536
N-(2-tert-butyloctyl)cyclopropanamine
CID 83138646
N'-cyclopropyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 116950599

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine (CID 83138940) is N-[2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine is Cc1cc(C)cc(CC(CNC2CC2)C(C)(C)C)c1.
What is the InChIKey of N-[2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine?
The InChIKey is DRIKUUQQSZDTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-13-8-14(2)10-15(9-13)11-16(18(3,4)5)12-19-17-6-7-17/h8-10,16-17,19H,6-7,11-12H2,1-5H3.
What are the key properties of N-[2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine?
N-[2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine has a molecular weight of 259.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 83138940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).