N-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine

C19H34FN — CID 130371419

IUPACN-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine
SMILESCCCC(CC)CC1=CC=C(F)CCC1CCNC(C)C
InChIInChI=1S/C19H34FN/c1-5-7-16(6-2)14-18-9-11-19(20)10-8-17(18)12-13-21-15(3)4/h9,11,15-17,21H,5-8,10,12-14H2,1-4H3
InChIKeyRBOHGFDVIHJBKQ-UHFFFAOYSA-N
MW295.49 g/mol
LogP5.78
Rot. Bonds9

About N-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine

N-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine (PubChem CID 130371419) has the molecular formula C19H34FN and a molecular weight of 295.49 g/mol. Its IUPAC name is N-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine
PubChem CID130371419
Molecular FormulaC19H34FN
Molecular Weight295.49 g/mol
Exact Mass295.27
IUPAC NameN-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine
SMILESCCCC(CC)CC1=CC=C(F)CCC1CCNC(C)C
InChIInChI=1S/C19H34FN/c1-5-7-16(6-2)14-18-9-11-19(20)10-8-17(18)12-13-21-15(3)4/h9,11,15-17,21H,5-8,10,12-14H2,1-4H3
InChIKeyRBOHGFDVIHJBKQ-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.49
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-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-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine (CID 130371419) is N-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine is CCCC(CC)CC1=CC=C(F)CCC1CCNC(C)C.
What is the InChIKey of N-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine?
The InChIKey is RBOHGFDVIHJBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34FN/c1-5-7-16(6-2)14-18-9-11-19(20)10-8-17(18)12-13-21-15(3)4/h9,11,15-17,21H,5-8,10,12-14H2,1-4H3.
What are the key properties of N-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine?
N-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine has a molecular weight of 295.49 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 130371419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).