N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N,2,4-trimethylaniline

C18H30N2 — CID 79849339

IUPACN-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N,2,4-trimethylaniline
SMILESCc1ccc(N(C)CC2CCCC(C)(C)C2N)c(C)c1
InChIInChI=1S/C18H30N2/c1-13-8-9-16(14(2)11-13)20(5)12-15-7-6-10-18(3,4)17(15)19/h8-9,11,15,17H,6-7,10,12,19H2,1-5H3
InChIKeyUQYZAUVZYOZFBE-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.89
Rot. Bonds3

About N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N,2,4-trimethylaniline

N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N,2,4-trimethylaniline (PubChem CID 79849339) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N,2,4-trimethylaniline.

Molecular Properties

Compound NameN-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N,2,4-trimethylaniline
PubChem CID79849339
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N,2,4-trimethylaniline
SMILESCc1ccc(N(C)CC2CCCC(C)(C)C2N)c(C)c1
InChIInChI=1S/C18H30N2/c1-13-8-9-16(14(2)11-13)20(5)12-15-7-6-10-18(3,4)17(15)19/h8-9,11,15,17H,6-7,10,12,19H2,1-5H3
InChIKeyUQYZAUVZYOZFBE-UHFFFAOYSA-N
XLogP3.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N,2,4-trimethylaniline?
The IUPAC name of N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N,2,4-trimethylaniline (CID 79849339) is N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N,2,4-trimethylaniline.
What is the SMILES notation for N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N,2,4-trimethylaniline?
The canonical SMILES for N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N,2,4-trimethylaniline is Cc1ccc(N(C)CC2CCCC(C)(C)C2N)c(C)c1.
What is the InChIKey of N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N,2,4-trimethylaniline?
The InChIKey is UQYZAUVZYOZFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-13-8-9-16(14(2)11-13)20(5)12-15-7-6-10-18(3,4)17(15)19/h8-9,11,15,17H,6-7,10,12,19H2,1-5H3.
What are the key properties of N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N,2,4-trimethylaniline?
N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N,2,4-trimethylaniline has a molecular weight of 274.45 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N,2,4-trimethylaniline is sourced from PubChem (CID 79849339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).