5-ethyl-3-fluoro-2-propan-2-ylnonan-1-amine

C14H30FN — CID 107443507

IUPAC5-ethyl-3-fluoro-2-propan-2-ylnonan-1-amine
SMILESCCCCC(CC)CC(F)C(CN)C(C)C
InChIInChI=1S/C14H30FN/c1-5-7-8-12(6-2)9-14(15)13(10-16)11(3)4/h11-14H,5-10,16H2,1-4H3
InChIKeyVPUNTNDAHLFBMT-UHFFFAOYSA-N
MW231.40 g/mol
LogP4.16
Rot. Bonds9

About 5-ethyl-3-fluoro-2-propan-2-ylnonan-1-amine

5-ethyl-3-fluoro-2-propan-2-ylnonan-1-amine (PubChem CID 107443507) has the molecular formula C14H30FN and a molecular weight of 231.40 g/mol. Its IUPAC name is 5-ethyl-3-fluoro-2-propan-2-ylnonan-1-amine.

Molecular Properties

Compound Name5-ethyl-3-fluoro-2-propan-2-ylnonan-1-amine
PubChem CID107443507
Molecular FormulaC14H30FN
Molecular Weight231.40 g/mol
Exact Mass231.24
IUPAC Name5-ethyl-3-fluoro-2-propan-2-ylnonan-1-amine
SMILESCCCCC(CC)CC(F)C(CN)C(C)C
InChIInChI=1S/C14H30FN/c1-5-7-8-12(6-2)9-14(15)13(10-16)11(3)4/h11-14H,5-10,16H2,1-4H3
InChIKeyVPUNTNDAHLFBMT-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-2-propan-2-ylundecan-1-amine
CID 107443718
(2S)-2-ethylhexan-1-amine
CID 6999997
2-tert-butyl-4-ethyloctan-1-amine
CID 83139279
2-ethylhexan-1-amine;hydrate
CID 173045208
2-ethylhexan-1-amine;dihydrochloride
CID 142641821
5,11-diethyl-7-methylpentadecane
CID 174871265
4-ethyl-2-methyloctadecan-1-amine
CID 139984402
2-ethyl-4-methyloctan-1-amine
CID 21358746
(5S)-3,5-diethylnonane;methane
CID 159387669
2-butylhexan-1-amine
CID 54041151
(2R,4S)-4-ethyloctan-2-ol
CID 7015159
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-fluoro-2-propan-2-ylnonan-1-amine?
The IUPAC name of 5-ethyl-3-fluoro-2-propan-2-ylnonan-1-amine (CID 107443507) is 5-ethyl-3-fluoro-2-propan-2-ylnonan-1-amine.
What is the SMILES notation for 5-ethyl-3-fluoro-2-propan-2-ylnonan-1-amine?
The canonical SMILES for 5-ethyl-3-fluoro-2-propan-2-ylnonan-1-amine is CCCCC(CC)CC(F)C(CN)C(C)C.
What is the InChIKey of 5-ethyl-3-fluoro-2-propan-2-ylnonan-1-amine?
The InChIKey is VPUNTNDAHLFBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30FN/c1-5-7-8-12(6-2)9-14(15)13(10-16)11(3)4/h11-14H,5-10,16H2,1-4H3.
What are the key properties of 5-ethyl-3-fluoro-2-propan-2-ylnonan-1-amine?
5-ethyl-3-fluoro-2-propan-2-ylnonan-1-amine has a molecular weight of 231.40 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-fluoro-2-propan-2-ylnonan-1-amine is sourced from PubChem (CID 107443507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).