N,N,4-trimethyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine

C13H23N — CID 123541755

IUPACN,N,4-trimethyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine
SMILESCC1=CC=C(N(C)C)C(CC(C)C)C1
InChIInChI=1S/C13H23N/c1-10(2)8-12-9-11(3)6-7-13(12)14(4)5/h6-7,10,12H,8-9H2,1-5H3
InChIKeyKWHMLPCDOLTSQS-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.44
Rot. Bonds3

About N,N,4-trimethyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine

N,N,4-trimethyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine (PubChem CID 123541755) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N,N,4-trimethyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine
PubChem CID123541755
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN,N,4-trimethyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine
SMILESCC1=CC=C(N(C)C)C(CC(C)C)C1
InChIInChI=1S/C13H23N/c1-10(2)8-12-9-11(3)6-7-13(12)14(4)5/h6-7,10,12H,8-9H2,1-5H3
InChIKeyKWHMLPCDOLTSQS-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.44
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-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of N,N,4-trimethyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine (CID 123541755) is N,N,4-trimethyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N,N,4-trimethyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N,N,4-trimethyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine is CC1=CC=C(N(C)C)C(CC(C)C)C1.
What is the InChIKey of N,N,4-trimethyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is KWHMLPCDOLTSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-10(2)8-12-9-11(3)6-7-13(12)14(4)5/h6-7,10,12H,8-9H2,1-5H3.
What are the key properties of N,N,4-trimethyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine?
N,N,4-trimethyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.44, 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-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 123541755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).