N-ethenyl-2-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine

C12H19N — CID 174117673

IUPACN-ethenyl-2-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine
SMILESC=CN(C1=C(C)CCC=C1)C(C)C
InChIInChI=1S/C12H19N/c1-5-13(10(2)3)12-9-7-6-8-11(12)4/h5,7,9-10H,1,6,8H2,2-4H3
InChIKeyZADKVQXUYLKKIP-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.46
Rot. Bonds3

About N-ethenyl-2-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine

N-ethenyl-2-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine (PubChem CID 174117673) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-ethenyl-2-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-ethenyl-2-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine
PubChem CID174117673
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-ethenyl-2-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine
SMILESC=CN(C1=C(C)CCC=C1)C(C)C
InChIInChI=1S/C12H19N/c1-5-13(10(2)3)12-9-7-6-8-11(12)4/h5,7,9-10H,1,6,8H2,2-4H3
InChIKeyZADKVQXUYLKKIP-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of N-ethenyl-2-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine (CID 174117673) is N-ethenyl-2-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-ethenyl-2-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-ethenyl-2-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine is C=CN(C1=C(C)CCC=C1)C(C)C.
What is the InChIKey of N-ethenyl-2-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is ZADKVQXUYLKKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-5-13(10(2)3)12-9-7-6-8-11(12)4/h5,7,9-10H,1,6,8H2,2-4H3.
What are the key properties of N-ethenyl-2-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine?
N-ethenyl-2-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 177.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 174117673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).