N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine

C15H23N — CID 115712894

IUPACN-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCC1CC1C)c1ccccc1
InChIInChI=1S/C15H23N/c1-3-7-15(13-8-5-4-6-9-13)16-11-14-10-12(14)2/h4-6,8-9,12,14-16H,3,7,10-11H2,1-2H3
InChIKeyOXKUHMPGLJCCJT-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.77
Rot. Bonds6

About N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine

N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine (PubChem CID 115712894) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine
PubChem CID115712894
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCC1CC1C)c1ccccc1
InChIInChI=1S/C15H23N/c1-3-7-15(13-8-5-4-6-9-13)16-11-14-10-12(14)2/h4-6,8-9,12,14-16H,3,7,10-11H2,1-2H3
InChIKeyOXKUHMPGLJCCJT-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine
CID 82833707
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
CID 60856064
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol
CID 64929462
3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol
CID 66007275
N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine
CID 43104102
N-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine
CID 63824425
1-phenyl-N-prop-2-enylbutan-1-amine
CID 43177099
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine
CID 61241035
N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine
CID 115676382
2-methyl-1-(1-phenylbutylamino)butan-2-ol
CID 65107747
N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine
CID 103561357

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine (CID 115712894) is N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine is CCCC(NCC1CC1C)c1ccccc1.
What is the InChIKey of N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine?
The InChIKey is OXKUHMPGLJCCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-7-15(13-8-5-4-6-9-13)16-11-14-10-12(14)2/h4-6,8-9,12,14-16H,3,7,10-11H2,1-2H3.
What are the key properties of N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine?
N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 115712894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).