N-but-1-en-2-yl-N,4-dimethylcyclohexa-2,4-dien-1-amine

C12H19N — CID 137474625

IUPACN-but-1-en-2-yl-N,4-dimethylcyclohexa-2,4-dien-1-amine
SMILESC=C(CC)N(C)C1C=CC(C)=CC1
InChIInChI=1S/C12H19N/c1-5-11(3)13(4)12-8-6-10(2)7-9-12/h6-8,12H,3,5,9H2,1-2,4H3
InChIKeyOGFOZNHBSJVSBT-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.12
Rot. Bonds3

About N-but-1-en-2-yl-N,4-dimethylcyclohexa-2,4-dien-1-amine

N-but-1-en-2-yl-N,4-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 137474625) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-but-1-en-2-yl-N,4-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-but-1-en-2-yl-N,4-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID137474625
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-but-1-en-2-yl-N,4-dimethylcyclohexa-2,4-dien-1-amine
SMILESC=C(CC)N(C)C1C=CC(C)=CC1
InChIInChI=1S/C12H19N/c1-5-11(3)13(4)12-8-6-10(2)7-9-12/h6-8,12H,3,5,9H2,1-2,4H3
InChIKeyOGFOZNHBSJVSBT-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-N,4-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N-but-1-en-2-yl-N,4-dimethylcyclohexa-2,4-dien-1-amine (CID 137474625) is N-but-1-en-2-yl-N,4-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-but-1-en-2-yl-N,4-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-but-1-en-2-yl-N,4-dimethylcyclohexa-2,4-dien-1-amine is C=C(CC)N(C)C1C=CC(C)=CC1.
What is the InChIKey of N-but-1-en-2-yl-N,4-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is OGFOZNHBSJVSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-5-11(3)13(4)12-8-6-10(2)7-9-12/h6-8,12H,3,5,9H2,1-2,4H3.
What are the key properties of N-but-1-en-2-yl-N,4-dimethylcyclohexa-2,4-dien-1-amine?
N-but-1-en-2-yl-N,4-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 177.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-N,4-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 137474625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).