4-N,2-dimethyl-2-N-propan-2-yl-5-(trifluoromethyl)oct-7-ene-2,4-diamine

C14H27F3N2 — CID 148716761

IUPAC4-N,2-dimethyl-2-N-propan-2-yl-5-(trifluoromethyl)oct-7-ene-2,4-diamine
SMILESC=CCC(C(CC(C)(C)NC(C)C)NC)C(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-7-8-11(14(15,16)17)12(18-6)9-13(4,5)19-10(2)3/h7,10-12,18-19H,1,8-9H2,2-6H3
InChIKeyNYGPEWYIGFPXMS-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.50
Rot. Bonds8

About 4-N,2-dimethyl-2-N-propan-2-yl-5-(trifluoromethyl)oct-7-ene-2,4-diamine

4-N,2-dimethyl-2-N-propan-2-yl-5-(trifluoromethyl)oct-7-ene-2,4-diamine (PubChem CID 148716761) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-N,2-dimethyl-2-N-propan-2-yl-5-(trifluoromethyl)oct-7-ene-2,4-diamine.

Molecular Properties

Compound Name4-N,2-dimethyl-2-N-propan-2-yl-5-(trifluoromethyl)oct-7-ene-2,4-diamine
PubChem CID148716761
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name4-N,2-dimethyl-2-N-propan-2-yl-5-(trifluoromethyl)oct-7-ene-2,4-diamine
SMILESC=CCC(C(CC(C)(C)NC(C)C)NC)C(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-7-8-11(14(15,16)17)12(18-6)9-13(4,5)19-10(2)3/h7,10-12,18-19H,1,8-9H2,2-6H3
InChIKeyNYGPEWYIGFPXMS-UHFFFAOYSA-N
XLogP3.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N,2-dimethyl-2-N-propan-2-yl-5-(trifluoromethyl)oct-7-ene-2,4-diamine?
The IUPAC name of 4-N,2-dimethyl-2-N-propan-2-yl-5-(trifluoromethyl)oct-7-ene-2,4-diamine (CID 148716761) is 4-N,2-dimethyl-2-N-propan-2-yl-5-(trifluoromethyl)oct-7-ene-2,4-diamine.
What is the SMILES notation for 4-N,2-dimethyl-2-N-propan-2-yl-5-(trifluoromethyl)oct-7-ene-2,4-diamine?
The canonical SMILES for 4-N,2-dimethyl-2-N-propan-2-yl-5-(trifluoromethyl)oct-7-ene-2,4-diamine is C=CCC(C(CC(C)(C)NC(C)C)NC)C(F)(F)F.
What is the InChIKey of 4-N,2-dimethyl-2-N-propan-2-yl-5-(trifluoromethyl)oct-7-ene-2,4-diamine?
The InChIKey is NYGPEWYIGFPXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-7-8-11(14(15,16)17)12(18-6)9-13(4,5)19-10(2)3/h7,10-12,18-19H,1,8-9H2,2-6H3.
What are the key properties of 4-N,2-dimethyl-2-N-propan-2-yl-5-(trifluoromethyl)oct-7-ene-2,4-diamine?
4-N,2-dimethyl-2-N-propan-2-yl-5-(trifluoromethyl)oct-7-ene-2,4-diamine has a molecular weight of 280.38 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-dimethyl-2-N-propan-2-yl-5-(trifluoromethyl)oct-7-ene-2,4-diamine is sourced from PubChem (CID 148716761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).