N,N-dimethyl-2-[(3-methylphenyl)methylidene]cyclohexan-1-amine

C16H23N — CID 54000069

IUPACN,N-dimethyl-2-[(3-methylphenyl)methylidene]cyclohexan-1-amine
SMILESCc1cccc(C=C2CCCCC2N(C)C)c1
InChIInChI=1S/C16H23N/c1-13-7-6-8-14(11-13)12-15-9-4-5-10-16(15)17(2)3/h6-8,11-12,16H,4-5,9-10H2,1-3H3
InChIKeyKKXRGBJEAGKHJZ-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.88
Rot. Bonds2

About N,N-dimethyl-2-[(3-methylphenyl)methylidene]cyclohexan-1-amine

N,N-dimethyl-2-[(3-methylphenyl)methylidene]cyclohexan-1-amine (PubChem CID 54000069) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3-methylphenyl)methylidene]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3-methylphenyl)methylidene]cyclohexan-1-amine
PubChem CID54000069
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN,N-dimethyl-2-[(3-methylphenyl)methylidene]cyclohexan-1-amine
SMILESCc1cccc(C=C2CCCCC2N(C)C)c1
InChIInChI=1S/C16H23N/c1-13-7-6-8-14(11-13)12-15-9-4-5-10-16(15)17(2)3/h6-8,11-12,16H,4-5,9-10H2,1-3H3
InChIKeyKKXRGBJEAGKHJZ-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3-methylphenyl)methylidene]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-2-[(3-methylphenyl)methylidene]cyclohexan-1-amine (CID 54000069) is N,N-dimethyl-2-[(3-methylphenyl)methylidene]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-2-[(3-methylphenyl)methylidene]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-2-[(3-methylphenyl)methylidene]cyclohexan-1-amine is Cc1cccc(C=C2CCCCC2N(C)C)c1.
What is the InChIKey of N,N-dimethyl-2-[(3-methylphenyl)methylidene]cyclohexan-1-amine?
The InChIKey is KKXRGBJEAGKHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-13-7-6-8-14(11-13)12-15-9-4-5-10-16(15)17(2)3/h6-8,11-12,16H,4-5,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(3-methylphenyl)methylidene]cyclohexan-1-amine?
N,N-dimethyl-2-[(3-methylphenyl)methylidene]cyclohexan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3-methylphenyl)methylidene]cyclohexan-1-amine is sourced from PubChem (CID 54000069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).