3-fluoro-2-propan-2-ylundecan-1-amine

C14H30FN — CID 107443718

IUPAC3-fluoro-2-propan-2-ylundecan-1-amine
SMILESCCCCCCCCC(F)C(CN)C(C)C
InChIInChI=1S/C14H30FN/c1-4-5-6-7-8-9-10-14(15)13(11-16)12(2)3/h12-14H,4-11,16H2,1-3H3
InChIKeyGEBDQMVOWQMALX-UHFFFAOYSA-N
MW231.40 g/mol
LogP4.31
Rot. Bonds10

About 3-fluoro-2-propan-2-ylundecan-1-amine

3-fluoro-2-propan-2-ylundecan-1-amine (PubChem CID 107443718) has the molecular formula C14H30FN and a molecular weight of 231.40 g/mol. Its IUPAC name is 3-fluoro-2-propan-2-ylundecan-1-amine.

Molecular Properties

Compound Name3-fluoro-2-propan-2-ylundecan-1-amine
PubChem CID107443718
Molecular FormulaC14H30FN
Molecular Weight231.40 g/mol
Exact Mass231.24
IUPAC Name3-fluoro-2-propan-2-ylundecan-1-amine
SMILESCCCCCCCCC(F)C(CN)C(C)C
InChIInChI=1S/C14H30FN/c1-4-5-6-7-8-9-10-14(15)13(11-16)12(2)3/h12-14H,4-11,16H2,1-3H3
InChIKeyGEBDQMVOWQMALX-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-difluoro-2-methyloctane
CID 134441598
2-methyl-3-propan-2-yltetradecane
CID 154298453
5-ethyl-3-fluoro-2-propan-2-ylnonan-1-amine
CID 107443507
2-propan-2-yloctan-1-amine
CID 62504332
3-propan-2-yldodecan-2-amine
CID 63401694
3-propan-2-yltridecan-2-amine
CID 63401691
3-propan-2-yldecan-2-amine
CID 63401734
2-methyltricosan-1-amine
CID 87547792
2-methylnonan-1-amine
CID 21396878
2-methyloctadecan-1-amine
CID 56980469
2-fluorohenicosane
CID 91354486
5-fluoro-6-methyldecane
CID 123598559

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-propan-2-ylundecan-1-amine?
The IUPAC name of 3-fluoro-2-propan-2-ylundecan-1-amine (CID 107443718) is 3-fluoro-2-propan-2-ylundecan-1-amine.
What is the SMILES notation for 3-fluoro-2-propan-2-ylundecan-1-amine?
The canonical SMILES for 3-fluoro-2-propan-2-ylundecan-1-amine is CCCCCCCCC(F)C(CN)C(C)C.
What is the InChIKey of 3-fluoro-2-propan-2-ylundecan-1-amine?
The InChIKey is GEBDQMVOWQMALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30FN/c1-4-5-6-7-8-9-10-14(15)13(11-16)12(2)3/h12-14H,4-11,16H2,1-3H3.
What are the key properties of 3-fluoro-2-propan-2-ylundecan-1-amine?
3-fluoro-2-propan-2-ylundecan-1-amine has a molecular weight of 231.40 g/mol, XLogP of 4.31, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-propan-2-ylundecan-1-amine is sourced from PubChem (CID 107443718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).