N-[(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)methyl]-N-prop-1-en-2-ylbutan-1-amine

C16H23N — CID 123560407

IUPACN-[(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)methyl]-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)N(CCCC)Cc1cccc(=C)c1=C
InChIInChI=1S/C16H23N/c1-6-7-11-17(13(2)3)12-16-10-8-9-14(4)15(16)5/h8-10H,2,4-7,11-12H2,1,3H3
InChIKeyGJHDGUMFTBTFMJ-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.64
Rot. Bonds6

About N-[(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)methyl]-N-prop-1-en-2-ylbutan-1-amine

N-[(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)methyl]-N-prop-1-en-2-ylbutan-1-amine (PubChem CID 123560407) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)methyl]-N-prop-1-en-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)methyl]-N-prop-1-en-2-ylbutan-1-amine
PubChem CID123560407
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-[(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)methyl]-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)N(CCCC)Cc1cccc(=C)c1=C
InChIInChI=1S/C16H23N/c1-6-7-11-17(13(2)3)12-16-10-8-9-14(4)15(16)5/h8-10H,2,4-7,11-12H2,1,3H3
InChIKeyGJHDGUMFTBTFMJ-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)methyl]-N-prop-1-en-2-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)methyl]-N-prop-1-en-2-ylbutan-1-amine?
The IUPAC name of N-[(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)methyl]-N-prop-1-en-2-ylbutan-1-amine (CID 123560407) is N-[(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)methyl]-N-prop-1-en-2-ylbutan-1-amine.
What is the SMILES notation for N-[(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)methyl]-N-prop-1-en-2-ylbutan-1-amine?
The canonical SMILES for N-[(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)methyl]-N-prop-1-en-2-ylbutan-1-amine is C=C(C)N(CCCC)Cc1cccc(=C)c1=C.
What is the InChIKey of N-[(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)methyl]-N-prop-1-en-2-ylbutan-1-amine?
The InChIKey is GJHDGUMFTBTFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-6-7-11-17(13(2)3)12-16-10-8-9-14(4)15(16)5/h8-10H,2,4-7,11-12H2,1,3H3.
What are the key properties of N-[(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)methyl]-N-prop-1-en-2-ylbutan-1-amine?
N-[(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)methyl]-N-prop-1-en-2-ylbutan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethylidenecyclohexa-1,3-dien-1-yl)methyl]-N-prop-1-en-2-ylbutan-1-amine is sourced from PubChem (CID 123560407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).