(2R)-N-(2-fluoro-2-methylpropyl)-N,4-dimethylpent-4-en-2-amine

C11H22FN — CID 170950702

IUPAC(2R)-N-(2-fluoro-2-methylpropyl)-N,4-dimethylpent-4-en-2-amine
SMILESC=C(C)C[C@@H](C)N(C)CC(C)(C)F
InChIInChI=1S/C11H22FN/c1-9(2)7-10(3)13(6)8-11(4,5)12/h10H,1,7-8H2,2-6H3/t10-/m1/s1
InChIKeyDOVUUONJSVHNPV-SNVBAGLBSA-N
MW187.30 g/mol
LogP3.02
Rot. Bonds5

About (2R)-N-(2-fluoro-2-methylpropyl)-N,4-dimethylpent-4-en-2-amine

(2R)-N-(2-fluoro-2-methylpropyl)-N,4-dimethylpent-4-en-2-amine (PubChem CID 170950702) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is (2R)-N-(2-fluoro-2-methylpropyl)-N,4-dimethylpent-4-en-2-amine.

Molecular Properties

Compound Name(2R)-N-(2-fluoro-2-methylpropyl)-N,4-dimethylpent-4-en-2-amine
PubChem CID170950702
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name(2R)-N-(2-fluoro-2-methylpropyl)-N,4-dimethylpent-4-en-2-amine
SMILESC=C(C)C[C@@H](C)N(C)CC(C)(C)F
InChIInChI=1S/C11H22FN/c1-9(2)7-10(3)13(6)8-11(4,5)12/h10H,1,7-8H2,2-6H3/t10-/m1/s1
InChIKeyDOVUUONJSVHNPV-SNVBAGLBSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-fluoro-N,4-dimethyl-N-prop-2-ynylpent-4-en-2-amine
CID 71508602
4-Hexenylamine, N-ethyl-N,1,5-trimethyl-
CID 57940
5-methyl-1-propan-2-yl-3,4-dihydro-2H-pyridine
CID 15930256
1,1,1,3,3-pentafluoro-N,4-dimethyl-N-(trifluoromethyl)pent-4-en-2-amine
CID 134531068
1,1,1,3,3-pentafluoro-N,N,4-trimethylpent-4-en-2-amine
CID 134531076
1-butyl-3-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyridine
CID 135217718
1-(2-fluoropropyl)-2,4-dimethyl-3,6-dihydro-2H-pyridine
CID 142154455
(2R)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine
CID 146266978
3-fluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine
CID 166157451
4-fluoro-2-methylidene-N-(2-methylprop-2-enyl)-N-propylpentan-1-amine
CID 167217035
4-fluoro-N-methyl-2-methylidene-N-propylbutan-1-amine
CID 169605942
3-fluoro-N-methyl-N-propan-2-ylpent-4-en-1-amine
CID 170602010

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluoro-2-methylpropyl)-N,4-dimethylpent-4-en-2-amine?
The IUPAC name of (2R)-N-(2-fluoro-2-methylpropyl)-N,4-dimethylpent-4-en-2-amine (CID 170950702) is (2R)-N-(2-fluoro-2-methylpropyl)-N,4-dimethylpent-4-en-2-amine.
What is the SMILES notation for (2R)-N-(2-fluoro-2-methylpropyl)-N,4-dimethylpent-4-en-2-amine?
The canonical SMILES for (2R)-N-(2-fluoro-2-methylpropyl)-N,4-dimethylpent-4-en-2-amine is C=C(C)C[C@@H](C)N(C)CC(C)(C)F.
What is the InChIKey of (2R)-N-(2-fluoro-2-methylpropyl)-N,4-dimethylpent-4-en-2-amine?
The InChIKey is DOVUUONJSVHNPV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22FN/c1-9(2)7-10(3)13(6)8-11(4,5)12/h10H,1,7-8H2,2-6H3/t10-/m1/s1.
What are the key properties of (2R)-N-(2-fluoro-2-methylpropyl)-N,4-dimethylpent-4-en-2-amine?
(2R)-N-(2-fluoro-2-methylpropyl)-N,4-dimethylpent-4-en-2-amine has a molecular weight of 187.30 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluoro-2-methylpropyl)-N,4-dimethylpent-4-en-2-amine is sourced from PubChem (CID 170950702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).