N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine

C14H25F3N2 — CID 134441684

IUPACN-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine
SMILESC=C(CC(C)(C)C)NCCCCNC(=C)C(F)(F)F
InChIInChI=1S/C14H25F3N2/c1-11(10-13(3,4)5)18-8-6-7-9-19-12(2)14(15,16)17/h18-19H,1-2,6-10H2,3-5H3
InChIKeyPDZUSIUIUDENHM-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.97
Rot. Bonds8

About N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine

N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine (PubChem CID 134441684) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine
PubChem CID134441684
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine
SMILESC=C(CC(C)(C)C)NCCCCNC(=C)C(F)(F)F
InChIInChI=1S/C14H25F3N2/c1-11(10-13(3,4)5)18-8-6-7-9-19-12(2)14(15,16)17/h18-19H,1-2,6-10H2,3-5H3
InChIKeyPDZUSIUIUDENHM-UHFFFAOYSA-N
XLogP3.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine 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-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine?
The IUPAC name of N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine (CID 134441684) is N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine.
What is the SMILES notation for N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine?
The canonical SMILES for N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine is C=C(CC(C)(C)C)NCCCCNC(=C)C(F)(F)F.
What is the InChIKey of N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine?
The InChIKey is PDZUSIUIUDENHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-11(10-13(3,4)5)18-8-6-7-9-19-12(2)14(15,16)17/h18-19H,1-2,6-10H2,3-5H3.
What are the key properties of N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine?
N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine is sourced from PubChem (CID 134441684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).