N,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)cyclohexa-1,5-dien-1-amine

C14H23N — CID 129197668

IUPACN,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)cyclohexa-1,5-dien-1-amine
SMILESC=C(C(C)C)N(C)C1=CC(C)CC=C1C
InChIInChI=1S/C14H23N/c1-10(2)13(5)15(6)14-9-11(3)7-8-12(14)4/h8-11H,5,7H2,1-4,6H3
InChIKeyJLHDDNBFXUPODS-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.96
Rot. Bonds3

About N,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)cyclohexa-1,5-dien-1-amine

N,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)cyclohexa-1,5-dien-1-amine (PubChem CID 129197668) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)cyclohexa-1,5-dien-1-amine
PubChem CID129197668
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)cyclohexa-1,5-dien-1-amine
SMILESC=C(C(C)C)N(C)C1=CC(C)CC=C1C
InChIInChI=1S/C14H23N/c1-10(2)13(5)15(6)14-9-11(3)7-8-12(14)4/h8-11H,5,7H2,1-4,6H3
InChIKeyJLHDDNBFXUPODS-UHFFFAOYSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of N,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)cyclohexa-1,5-dien-1-amine (CID 129197668) is N,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)cyclohexa-1,5-dien-1-amine is C=C(C(C)C)N(C)C1=CC(C)CC=C1C.
What is the InChIKey of N,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)cyclohexa-1,5-dien-1-amine?
The InChIKey is JLHDDNBFXUPODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-10(2)13(5)15(6)14-9-11(3)7-8-12(14)4/h8-11H,5,7H2,1-4,6H3.
What are the key properties of N,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)cyclohexa-1,5-dien-1-amine?
N,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)cyclohexa-1,5-dien-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 129197668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).