[1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine

C15H23N — CID 117310036

IUPAC[1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine
SMILESCCC(CC)c1cccc(C2(CN)CC2)c1
InChIInChI=1S/C15H23N/c1-3-12(4-2)13-6-5-7-14(10-13)15(11-16)8-9-15/h5-7,10,12H,3-4,8-9,11,16H2,1-2H3
InChIKeyWVYSVMRJCZZBNT-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.58
Rot. Bonds5

About [1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine

[1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine (PubChem CID 117310036) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is [1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine
PubChem CID117310036
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name[1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine
SMILESCCC(CC)c1cccc(C2(CN)CC2)c1
InChIInChI=1S/C15H23N/c1-3-12(4-2)13-6-5-7-14(10-13)15(11-16)8-9-15/h5-7,10,12H,3-4,8-9,11,16H2,1-2H3
InChIKeyWVYSVMRJCZZBNT-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol
CID 117113123
[1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine
CID 117301607
[1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine
CID 117113249
[1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine
CID 117477395
3-[1-(aminomethyl)cyclopropyl]aniline
CID 82275301
[3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol
CID 84609425
[1-[3-[1-(aminomethyl)cyclopropyl]phenyl]cyclopropyl]methanol
CID 117112180
1-(1-isocyanatocyclopentyl)-3-pentan-3-ylbenzene
CID 117397159
[1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 116992722
[1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine
CID 117418946
[1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine
CID 116993044
[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 117316889

Frequently Asked Questions

What is the IUPAC name of [1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine (CID 117310036) is [1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine is CCC(CC)c1cccc(C2(CN)CC2)c1.
What is the InChIKey of [1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine?
The InChIKey is WVYSVMRJCZZBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-12(4-2)13-6-5-7-14(10-13)15(11-16)8-9-15/h5-7,10,12H,3-4,8-9,11,16H2,1-2H3.
What are the key properties of [1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine?
[1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine has a molecular weight of 217.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117310036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).