4,4,4-trifluoro-3-(4-methylazepan-1-yl)butan-1-amine

C11H21F3N2 — CID 63622757

IUPAC4,4,4-trifluoro-3-(4-methylazepan-1-yl)butan-1-amine
SMILESCC1CCCN(C(CCN)C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2/c1-9-3-2-7-16(8-5-9)10(4-6-15)11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyHDEJTGLEKLKSSR-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.39
Rot. Bonds3

About 4,4,4-trifluoro-3-(4-methylazepan-1-yl)butan-1-amine

4,4,4-trifluoro-3-(4-methylazepan-1-yl)butan-1-amine (PubChem CID 63622757) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(4-methylazepan-1-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(4-methylazepan-1-yl)butan-1-amine
PubChem CID63622757
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name4,4,4-trifluoro-3-(4-methylazepan-1-yl)butan-1-amine
SMILESCC1CCCN(C(CCN)C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2/c1-9-3-2-7-16(8-5-9)10(4-6-15)11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyHDEJTGLEKLKSSR-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(4-methylazepan-1-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(4-methylazepan-1-yl)butan-1-amine (CID 63622757) is 4,4,4-trifluoro-3-(4-methylazepan-1-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(4-methylazepan-1-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(4-methylazepan-1-yl)butan-1-amine is CC1CCCN(C(CCN)C(F)(F)F)CC1.
What is the InChIKey of 4,4,4-trifluoro-3-(4-methylazepan-1-yl)butan-1-amine?
The InChIKey is HDEJTGLEKLKSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-9-3-2-7-16(8-5-9)10(4-6-15)11(12,13)14/h9-10H,2-8,15H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-(4-methylazepan-1-yl)butan-1-amine?
4,4,4-trifluoro-3-(4-methylazepan-1-yl)butan-1-amine has a molecular weight of 238.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(4-methylazepan-1-yl)butan-1-amine is sourced from PubChem (CID 63622757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).