1,1-dicyclopropyl-N-[(2,5-dimethylphenyl)methyl]methanamine

C16H23N — CID 60714034

IUPAC1,1-dicyclopropyl-N-[(2,5-dimethylphenyl)methyl]methanamine
SMILESCc1ccc(C)c(CNC(C2CC2)C2CC2)c1
InChIInChI=1S/C16H23N/c1-11-3-4-12(2)15(9-11)10-17-16(13-5-6-13)14-7-8-14/h3-4,9,13-14,16-17H,5-8,10H2,1-2H3
InChIKeyRGIXSFZYKDPMQL-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.58
Rot. Bonds5

About 1,1-dicyclopropyl-N-[(2,5-dimethylphenyl)methyl]methanamine

1,1-dicyclopropyl-N-[(2,5-dimethylphenyl)methyl]methanamine (PubChem CID 60714034) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1,1-dicyclopropyl-N-[(2,5-dimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1,1-dicyclopropyl-N-[(2,5-dimethylphenyl)methyl]methanamine
PubChem CID60714034
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1,1-dicyclopropyl-N-[(2,5-dimethylphenyl)methyl]methanamine
SMILESCc1ccc(C)c(CNC(C2CC2)C2CC2)c1
InChIInChI=1S/C16H23N/c1-11-3-4-12(2)15(9-11)10-17-16(13-5-6-13)14-7-8-14/h3-4,9,13-14,16-17H,5-8,10H2,1-2H3
InChIKeyRGIXSFZYKDPMQL-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 61482130
(2S)-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 93116797
1-cyclopropyl-2-(2,5-dimethylphenyl)ethanol
CID 61481966
2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415387
1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115967889
1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 60714029
2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406667
N-[(2,5-dimethylphenyl)methyl]thiolan-3-amine
CID 103701631
N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine
CID 60684201
4-bromo-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 83187879
(3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol
CID 103854725

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropyl-N-[(2,5-dimethylphenyl)methyl]methanamine?
The IUPAC name of 1,1-dicyclopropyl-N-[(2,5-dimethylphenyl)methyl]methanamine (CID 60714034) is 1,1-dicyclopropyl-N-[(2,5-dimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1,1-dicyclopropyl-N-[(2,5-dimethylphenyl)methyl]methanamine?
The canonical SMILES for 1,1-dicyclopropyl-N-[(2,5-dimethylphenyl)methyl]methanamine is Cc1ccc(C)c(CNC(C2CC2)C2CC2)c1.
What is the InChIKey of 1,1-dicyclopropyl-N-[(2,5-dimethylphenyl)methyl]methanamine?
The InChIKey is RGIXSFZYKDPMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-11-3-4-12(2)15(9-11)10-17-16(13-5-6-13)14-7-8-14/h3-4,9,13-14,16-17H,5-8,10H2,1-2H3.
What are the key properties of 1,1-dicyclopropyl-N-[(2,5-dimethylphenyl)methyl]methanamine?
1,1-dicyclopropyl-N-[(2,5-dimethylphenyl)methyl]methanamine has a molecular weight of 229.37 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 1,1-dicyclopropyl-N-[(2,5-dimethylphenyl)methyl]methanamine is sourced from PubChem (CID 60714034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).