N-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine

C14H22FN — CID 142020198

IUPACN-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine
SMILESC=C(CC)N(CCC)C1C=C(F)C=CC1C
InChIInChI=1S/C14H22FN/c1-5-9-16(12(4)6-2)14-10-13(15)8-7-11(14)3/h7-8,10-11,14H,4-6,9H2,1-3H3
InChIKeyBXSZLKHPOADXJN-UHFFFAOYSA-N
MW223.33 g/mol
LogP4.05
Rot. Bonds5

About N-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine

N-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine (PubChem CID 142020198) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is N-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine
PubChem CID142020198
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC NameN-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine
SMILESC=C(CC)N(CCC)C1C=C(F)C=CC1C
InChIInChI=1S/C14H22FN/c1-5-9-16(12(4)6-2)14-10-13(15)8-7-11(14)3/h7-8,10-11,14H,4-6,9H2,1-3H3
InChIKeyBXSZLKHPOADXJN-UHFFFAOYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-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-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine (CID 142020198) is N-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine is C=C(CC)N(CCC)C1C=C(F)C=CC1C.
What is the InChIKey of N-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine?
The InChIKey is BXSZLKHPOADXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-5-9-16(12(4)6-2)14-10-13(15)8-7-11(14)3/h7-8,10-11,14H,4-6,9H2,1-3H3.
What are the key properties of N-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine?
N-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine has a molecular weight of 223.33 g/mol, XLogP of 4.05, 5 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-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 142020198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).