3-(4,4-difluoroazepan-1-yl)propan-1-amine

C9H18F2N2 — CID 115019061

IUPAC3-(4,4-difluoroazepan-1-yl)propan-1-amine
SMILESNCCCN1CCCC(F)(F)CC1
InChIInChI=1S/C9H18F2N2/c10-9(11)3-1-6-13(8-4-9)7-2-5-12/h1-8,12H2
InChIKeyRKGPQPHVFFGFDP-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.46
Rot. Bonds3

About 3-(4,4-difluoroazepan-1-yl)propan-1-amine

3-(4,4-difluoroazepan-1-yl)propan-1-amine (PubChem CID 115019061) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 3-(4,4-difluoroazepan-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4,4-difluoroazepan-1-yl)propan-1-amine
PubChem CID115019061
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name3-(4,4-difluoroazepan-1-yl)propan-1-amine
SMILESNCCCN1CCCC(F)(F)CC1
InChIInChI=1S/C9H18F2N2/c10-9(11)3-1-6-13(8-4-9)7-2-5-12/h1-8,12H2
InChIKeyRKGPQPHVFFGFDP-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 2758354
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine
CID 145312268
2-methylpropane;3-piperidin-1-ylpropan-1-amine
CID 161163740
3-(4,4-difluoroazepan-1-yl)propanoic acid
CID 115025049
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
4,4-difluoro-1-heptylpiperidine
CID 138507375
3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride
CID 115020907
6-(azetidin-1-yl)hexan-1-amine
CID 18952651
5-(8-azaspiro[4.5]decan-8-yl)pentan-1-amine
CID 63157322
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoroazepan-1-yl)propan-1-amine?
The IUPAC name of 3-(4,4-difluoroazepan-1-yl)propan-1-amine (CID 115019061) is 3-(4,4-difluoroazepan-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4,4-difluoroazepan-1-yl)propan-1-amine?
The canonical SMILES for 3-(4,4-difluoroazepan-1-yl)propan-1-amine is NCCCN1CCCC(F)(F)CC1.
What is the InChIKey of 3-(4,4-difluoroazepan-1-yl)propan-1-amine?
The InChIKey is RKGPQPHVFFGFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c10-9(11)3-1-6-13(8-4-9)7-2-5-12/h1-8,12H2.
What are the key properties of 3-(4,4-difluoroazepan-1-yl)propan-1-amine?
3-(4,4-difluoroazepan-1-yl)propan-1-amine has a molecular weight of 192.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoroazepan-1-yl)propan-1-amine is sourced from PubChem (CID 115019061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).