N,N,4-trimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine

C17H27N — CID 70921602

IUPACN,N,4-trimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1ccccc1CC1(N(C)C)CCC(C)CC1
InChIInChI=1S/C17H27N/c1-14-9-11-17(12-10-14,18(3)4)13-16-8-6-5-7-15(16)2/h5-8,14H,9-13H2,1-4H3
InChIKeyBSMGJZDZWFSIAI-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.05
Rot. Bonds3

About N,N,4-trimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine

N,N,4-trimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 70921602) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID70921602
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN,N,4-trimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1ccccc1CC1(N(C)C)CCC(C)CC1
InChIInChI=1S/C17H27N/c1-14-9-11-17(12-10-14,18(3)4)13-16-8-6-5-7-15(16)2/h5-8,14H,9-13H2,1-4H3
InChIKeyBSMGJZDZWFSIAI-UHFFFAOYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of N,N,4-trimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine (CID 70921602) is N,N,4-trimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for N,N,4-trimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine is Cc1ccccc1CC1(N(C)C)CCC(C)CC1.
What is the InChIKey of N,N,4-trimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is BSMGJZDZWFSIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-14-9-11-17(12-10-14,18(3)4)13-16-8-6-5-7-15(16)2/h5-8,14H,9-13H2,1-4H3.
What are the key properties of N,N,4-trimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine?
N,N,4-trimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 70921602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).