2-N-[2-(cyclopenten-1-yl)ethyl]-6,6,6-trifluoro-2-methylhexane-1,2-diamine

C14H25F3N2 — CID 106173187

IUPAC2-N-[2-(cyclopenten-1-yl)ethyl]-6,6,6-trifluoro-2-methylhexane-1,2-diamine
SMILESCC(CN)(CCCC(F)(F)F)NCCC1=CCCC1
InChIInChI=1S/C14H25F3N2/c1-13(11-18,8-4-9-14(15,16)17)19-10-7-12-5-2-3-6-12/h5,19H,2-4,6-11,18H2,1H3
InChIKeyZWJPOCMNXVYUJV-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.53
Rot. Bonds8

About 2-N-[2-(cyclopenten-1-yl)ethyl]-6,6,6-trifluoro-2-methylhexane-1,2-diamine

2-N-[2-(cyclopenten-1-yl)ethyl]-6,6,6-trifluoro-2-methylhexane-1,2-diamine (PubChem CID 106173187) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-N-[2-(cyclopenten-1-yl)ethyl]-6,6,6-trifluoro-2-methylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(cyclopenten-1-yl)ethyl]-6,6,6-trifluoro-2-methylhexane-1,2-diamine
PubChem CID106173187
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name2-N-[2-(cyclopenten-1-yl)ethyl]-6,6,6-trifluoro-2-methylhexane-1,2-diamine
SMILESCC(CN)(CCCC(F)(F)F)NCCC1=CCCC1
InChIInChI=1S/C14H25F3N2/c1-13(11-18,8-4-9-14(15,16)17)19-10-7-12-5-2-3-6-12/h5,19H,2-4,6-11,18H2,1H3
InChIKeyZWJPOCMNXVYUJV-UHFFFAOYSA-N
XLogP3.53
TPSA38.05 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 ≤ 53.53
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 2-N-[2-(cyclopenten-1-yl)ethyl]-6,6,6-trifluoro-2-methylhexane-1,2-diamine?
The IUPAC name of 2-N-[2-(cyclopenten-1-yl)ethyl]-6,6,6-trifluoro-2-methylhexane-1,2-diamine (CID 106173187) is 2-N-[2-(cyclopenten-1-yl)ethyl]-6,6,6-trifluoro-2-methylhexane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(cyclopenten-1-yl)ethyl]-6,6,6-trifluoro-2-methylhexane-1,2-diamine?
The canonical SMILES for 2-N-[2-(cyclopenten-1-yl)ethyl]-6,6,6-trifluoro-2-methylhexane-1,2-diamine is CC(CN)(CCCC(F)(F)F)NCCC1=CCCC1.
What is the InChIKey of 2-N-[2-(cyclopenten-1-yl)ethyl]-6,6,6-trifluoro-2-methylhexane-1,2-diamine?
The InChIKey is ZWJPOCMNXVYUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-13(11-18,8-4-9-14(15,16)17)19-10-7-12-5-2-3-6-12/h5,19H,2-4,6-11,18H2,1H3.
What are the key properties of 2-N-[2-(cyclopenten-1-yl)ethyl]-6,6,6-trifluoro-2-methylhexane-1,2-diamine?
2-N-[2-(cyclopenten-1-yl)ethyl]-6,6,6-trifluoro-2-methylhexane-1,2-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(cyclopenten-1-yl)ethyl]-6,6,6-trifluoro-2-methylhexane-1,2-diamine is sourced from PubChem (CID 106173187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).