N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine

C9H20FN — CID 142351395

IUPACN-(3-fluoropropyl)-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)CCCF
InChIInChI=1S/C9H20FN/c1-9(2)5-8-11(3)7-4-6-10/h9H,4-8H2,1-3H3
InChIKeyLINVKHSVSZWPCI-UHFFFAOYSA-N
MW161.26 g/mol
LogP2.32
Rot. Bonds6

About N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine

N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine (PubChem CID 142351395) has the molecular formula C9H20FN and a molecular weight of 161.26 g/mol. Its IUPAC name is N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-N,3-dimethylbutan-1-amine
PubChem CID142351395
Molecular FormulaC9H20FN
Molecular Weight161.26 g/mol
Exact Mass161.16
IUPAC NameN-(3-fluoropropyl)-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)CCCF
InChIInChI=1S/C9H20FN/c1-9(2)5-8-11(3)7-4-6-10/h9H,4-8H2,1-3H3
InChIKeyLINVKHSVSZWPCI-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine
CID 61425657
(2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol
CID 127002194
4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine
CID 126593992
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001
N'-(3-fluoropropyl)-N'-methylethane-1,2-diamine
CID 81106784
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423
N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
2-[3-fluoropropyl(methyl)amino]ethanethiol
CID 58986379
3-[3-fluoropropyl(methyl)amino]propan-1-ol
CID 126974826
ethane;3-fluoro-N-methyl-N-propylpropan-1-amine
CID 142123052
1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine
CID 90943925
N-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine
CID 171725800

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine (CID 142351395) is N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine is CC(C)CCN(C)CCCF.
What is the InChIKey of N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine?
The InChIKey is LINVKHSVSZWPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FN/c1-9(2)5-8-11(3)7-4-6-10/h9H,4-8H2,1-3H3.
What are the key properties of N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine?
N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine has a molecular weight of 161.26 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 142351395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).