1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine

C16H23N — CID 43776551

IUPAC1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(C(NC(C)C2CC2)C2CC2)cc1
InChIInChI=1S/C16H23N/c1-11-3-5-14(6-4-11)16(15-9-10-15)17-12(2)13-7-8-13/h3-6,12-13,15-17H,7-10H2,1-2H3
InChIKeyDWONANOBXBKFQV-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.83
Rot. Bonds5

About 1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine

1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine (PubChem CID 43776551) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
PubChem CID43776551
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(C(NC(C)C2CC2)C2CC2)cc1
InChIInChI=1S/C16H23N/c1-11-3-5-14(6-4-11)16(15-9-10-15)17-12(2)13-7-8-13/h3-6,12-13,15-17H,7-10H2,1-2H3
InChIKeyDWONANOBXBKFQV-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine
CID 43773888
(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol
CID 114987207
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine
CID 63477306
(1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine
CID 81384662
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946052
1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 115708071
1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 55097109
(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 81389876
N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 54863063
2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol
CID 61246859
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 64604426
methyl (2S)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutanoate
CID 43425691

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine (CID 43776551) is 1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine is Cc1ccc(C(NC(C)C2CC2)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine?
The InChIKey is DWONANOBXBKFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-11-3-5-14(6-4-11)16(15-9-10-15)17-12(2)13-7-8-13/h3-6,12-13,15-17H,7-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine?
1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine has a molecular weight of 229.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43776551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).