N-methyl-N-(3-methylbut-1-en-2-yl)cyclohexa-2,4-dien-1-amine

C12H19N — CID 129152514

IUPACN-methyl-N-(3-methylbut-1-en-2-yl)cyclohexa-2,4-dien-1-amine
SMILESC=C(C(C)C)N(C)C1C=CC=CC1
InChIInChI=1S/C12H19N/c1-10(2)11(3)13(4)12-8-6-5-7-9-12/h5-8,10,12H,3,9H2,1-2,4H3
InChIKeyFZQYVRFIOOKCQV-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.97
Rot. Bonds3

About N-methyl-N-(3-methylbut-1-en-2-yl)cyclohexa-2,4-dien-1-amine

N-methyl-N-(3-methylbut-1-en-2-yl)cyclohexa-2,4-dien-1-amine (PubChem CID 129152514) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-methyl-N-(3-methylbut-1-en-2-yl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbut-1-en-2-yl)cyclohexa-2,4-dien-1-amine
PubChem CID129152514
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-methyl-N-(3-methylbut-1-en-2-yl)cyclohexa-2,4-dien-1-amine
SMILESC=C(C(C)C)N(C)C1C=CC=CC1
InChIInChI=1S/C12H19N/c1-10(2)11(3)13(4)12-8-6-5-7-9-12/h5-8,10,12H,3,9H2,1-2,4H3
InChIKeyFZQYVRFIOOKCQV-UHFFFAOYSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbut-1-en-2-yl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of N-methyl-N-(3-methylbut-1-en-2-yl)cyclohexa-2,4-dien-1-amine (CID 129152514) is N-methyl-N-(3-methylbut-1-en-2-yl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-methyl-N-(3-methylbut-1-en-2-yl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-methyl-N-(3-methylbut-1-en-2-yl)cyclohexa-2,4-dien-1-amine is C=C(C(C)C)N(C)C1C=CC=CC1.
What is the InChIKey of N-methyl-N-(3-methylbut-1-en-2-yl)cyclohexa-2,4-dien-1-amine?
The InChIKey is FZQYVRFIOOKCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10(2)11(3)13(4)12-8-6-5-7-9-12/h5-8,10,12H,3,9H2,1-2,4H3.
What are the key properties of N-methyl-N-(3-methylbut-1-en-2-yl)cyclohexa-2,4-dien-1-amine?
N-methyl-N-(3-methylbut-1-en-2-yl)cyclohexa-2,4-dien-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbut-1-en-2-yl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 129152514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).