5-fluoro-N,N,3,4-tetramethylhexa-1,5-dien-2-amine

C10H18FN — CID 143478785

IUPAC5-fluoro-N,N,3,4-tetramethylhexa-1,5-dien-2-amine
SMILESC=C(F)C(C)C(C)C(=C)N(C)C
InChIInChI=1S/C10H18FN/c1-7(9(3)11)8(2)10(4)12(5)6/h7-8H,3-4H2,1-2,5-6H3
InChIKeyOYXBUUYVXHVUQU-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.82
Rot. Bonds4

About 5-fluoro-N,N,3,4-tetramethylhexa-1,5-dien-2-amine

5-fluoro-N,N,3,4-tetramethylhexa-1,5-dien-2-amine (PubChem CID 143478785) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 5-fluoro-N,N,3,4-tetramethylhexa-1,5-dien-2-amine.

Molecular Properties

Compound Name5-fluoro-N,N,3,4-tetramethylhexa-1,5-dien-2-amine
PubChem CID143478785
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name5-fluoro-N,N,3,4-tetramethylhexa-1,5-dien-2-amine
SMILESC=C(F)C(C)C(C)C(=C)N(C)C
InChIInChI=1S/C10H18FN/c1-7(9(3)11)8(2)10(4)12(5)6/h7-8H,3-4H2,1-2,5-6H3
InChIKeyOYXBUUYVXHVUQU-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-1-(2-fluoropropyl)-4-methyl-2-methylidenepyrrolidine
CID 156479681
N-butyl-3-methyl-N-propylpent-1-en-2-amine
CID 18717520
N,N,3-trimethylpent-1-en-2-amine
CID 18717523
N,N-diethyl-3-methylpent-1-en-2-amine
CID 18717524
N,N-dibutyl-3-methylpent-1-en-2-amine
CID 18721539
N,N,4-trimethylpent-1-en-2-amine
CID 59989186
N,N,5-trimethylhex-1-en-2-amine
CID 89459518
N-ethyl-N,4-dimethylpent-1-en-2-amine
CID 89696933
N,4-dimethyl-N-(3-methylbutyl)pent-1-en-2-amine
CID 89706909
N,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine
CID 90787138
N,4-dimethyl-N-(2-methylpropyl)pent-1-en-2-amine
CID 90921321
N,N,3,4-tetramethylpent-1-en-2-amine
CID 91318110

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N,3,4-tetramethylhexa-1,5-dien-2-amine?
The IUPAC name of 5-fluoro-N,N,3,4-tetramethylhexa-1,5-dien-2-amine (CID 143478785) is 5-fluoro-N,N,3,4-tetramethylhexa-1,5-dien-2-amine.
What is the SMILES notation for 5-fluoro-N,N,3,4-tetramethylhexa-1,5-dien-2-amine?
The canonical SMILES for 5-fluoro-N,N,3,4-tetramethylhexa-1,5-dien-2-amine is C=C(F)C(C)C(C)C(=C)N(C)C.
What is the InChIKey of 5-fluoro-N,N,3,4-tetramethylhexa-1,5-dien-2-amine?
The InChIKey is OYXBUUYVXHVUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-7(9(3)11)8(2)10(4)12(5)6/h7-8H,3-4H2,1-2,5-6H3.
What are the key properties of 5-fluoro-N,N,3,4-tetramethylhexa-1,5-dien-2-amine?
5-fluoro-N,N,3,4-tetramethylhexa-1,5-dien-2-amine has a molecular weight of 171.26 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N,3,4-tetramethylhexa-1,5-dien-2-amine is sourced from PubChem (CID 143478785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).