1-(2,2-difluoroethyl)-5-methylazepan-4-amine

C9H18F2N2 — CID 169135404

IUPAC1-(2,2-difluoroethyl)-5-methylazepan-4-amine
SMILESCC1CCN(CC(F)F)CCC1N
InChIInChI=1S/C9H18F2N2/c1-7-2-4-13(6-9(10)11)5-3-8(7)12/h7-9H,2-6,12H2,1H3
InChIKeySCVQSIKCUGNTQE-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.31
Rot. Bonds2

About 1-(2,2-difluoroethyl)-5-methylazepan-4-amine

1-(2,2-difluoroethyl)-5-methylazepan-4-amine (PubChem CID 169135404) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-5-methylazepan-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-5-methylazepan-4-amine
PubChem CID169135404
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name1-(2,2-difluoroethyl)-5-methylazepan-4-amine
SMILESCC1CCN(CC(F)F)CCC1N
InChIInChI=1S/C9H18F2N2/c1-7-2-4-13(6-9(10)11)5-3-8(7)12/h7-9H,2-6,12H2,1H3
InChIKeySCVQSIKCUGNTQE-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-Trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine
CID 20763674
N',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine
CID 89380839
(4R)-4-(difluoromethyl)-1-propan-2-ylazepane
CID 117804173
Fluoromethane;2,3,3,3-tetrafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine
CID 142188801
1-(6-fluoro-1-sulfanylazepan-4-yl)-N-methylethanamine
CID 143008071
4,4-Difluoro-5-methyl-1-propan-2-ylazepane
CID 153592487
(4R)-1-tert-butyl-4-(2,2-difluoroethyl)azepan-4-amine
CID 155184112
(4R)-4-(2,2-difluoroethyl)-1-methylazepan-4-amine
CID 155204122
1,1,1-trifluoro-3-methyl-6-N-(2-methylpropyl)-2-N-propan-2-ylheptane-2,6-diamine
CID 155429475
(4R)-4-(2,2-difluoroethyl)-1-propan-2-ylazepan-4-amine
CID 156483012
(4R)-4-(2,2-difluoroethyl)-1-hexan-2-ylazepan-4-amine
CID 156483013
1-N-ethyl-2,2-difluoro-1-N,6-dimethylheptane-1,3-diamine
CID 166694885

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-5-methylazepan-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-5-methylazepan-4-amine (CID 169135404) is 1-(2,2-difluoroethyl)-5-methylazepan-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-5-methylazepan-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-5-methylazepan-4-amine is CC1CCN(CC(F)F)CCC1N.
What is the InChIKey of 1-(2,2-difluoroethyl)-5-methylazepan-4-amine?
The InChIKey is SCVQSIKCUGNTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-7-2-4-13(6-9(10)11)5-3-8(7)12/h7-9H,2-6,12H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-5-methylazepan-4-amine?
1-(2,2-difluoroethyl)-5-methylazepan-4-amine has a molecular weight of 192.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-5-methylazepan-4-amine is sourced from PubChem (CID 169135404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).