N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine

C17H25N — CID 79978765

IUPACN-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2cccc(C3CC3)c2)C1
InChIInChI=1S/C17H25N/c1-13-4-2-7-17(10-13)18-12-14-5-3-6-16(11-14)15-8-9-15/h3,5-6,11,13,15,17-18H,2,4,7-10,12H2,1H3
InChIKeyPOGLVGUWDJLMPL-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.23
Rot. Bonds4

About N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine

N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 79978765) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine
PubChem CID79978765
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2cccc(C3CC3)c2)C1
InChIInChI=1S/C17H25N/c1-13-4-2-7-17(10-13)18-12-14-5-3-6-16(11-14)15-8-9-15/h3,5-6,11,13,15,17-18H,2,4,7-10,12H2,1H3
InChIKeyPOGLVGUWDJLMPL-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-cyclopropylphenyl)methyl]cyclopentanamine
CID 79979605
3-[(3-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 79978495
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410
N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317393
N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine
CID 79978789
N-[(3-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 107849884
4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979684
N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62430584
N-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79983868
3-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 43317418
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317453
2,6-difluoro-4-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 79831119

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine (CID 79978765) is N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine is CC1CCCC(NCc2cccc(C3CC3)c2)C1.
What is the InChIKey of N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is POGLVGUWDJLMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-13-4-2-7-17(10-13)18-12-14-5-3-6-16(11-14)15-8-9-15/h3,5-6,11,13,15,17-18H,2,4,7-10,12H2,1H3.
What are the key properties of N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine?
N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 79978765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).