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

C11H22FN — CID 139324079

IUPAC(E,4R)-4-fluoro-N-(2-methylpropyl)hept-2-en-2-amine
SMILESCCC[C@@H](F)/C=C(\C)NCC(C)C
InChIInChI=1S/C11H22FN/c1-5-6-11(12)7-10(4)13-8-9(2)3/h7,9,11,13H,5-6,8H2,1-4H3/b10-7+/t11-/m1/s1
InChIKeyDERRXHWFPMMVAB-PFEDMVJOSA-N
MW187.30 g/mol
LogP3.27
Rot. Bonds6

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

(E,4R)-4-fluoro-N-(2-methylpropyl)hept-2-en-2-amine (PubChem CID 139324079) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is (E,4R)-4-fluoro-N-(2-methylpropyl)hept-2-en-2-amine.

Molecular Properties

Compound Name(E,4R)-4-fluoro-N-(2-methylpropyl)hept-2-en-2-amine
PubChem CID139324079
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name(E,4R)-4-fluoro-N-(2-methylpropyl)hept-2-en-2-amine
SMILESCCC[C@@H](F)/C=C(\C)NCC(C)C
InChIInChI=1S/C11H22FN/c1-5-6-11(12)7-10(4)13-8-9(2)3/h7,9,11,13H,5-6,8H2,1-4H3/b10-7+/t11-/m1/s1
InChIKeyDERRXHWFPMMVAB-PFEDMVJOSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-[(2E)-6-(trifluoromethyl)hepta-2,6-dien-3-yl]pentane-1,5-diamine
CID 89209357
(E)-5-fluoro-N-methyloct-2-en-2-amine
CID 89209365
5-fluoro-N,8-dimethylnon-5-en-2-amine
CID 123595869
(Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine
CID 130233741
(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine
CID 134291684
(2E,5E)-6-fluoro-N-propylocta-2,5,7-trien-2-amine
CID 143108367
5-Tert-butyl-3-fluoro-3-methyl-1,2-dihydropyrrole
CID 146392555
(3E,4E)-N-ethyl-3-ethylidene-5-fluorohexa-1,4-dien-2-amine
CID 146521727
N-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine
CID 146536937
3-Fluoro-6-methyl-1,2,3,4-tetrahydropyridine
CID 148008923
N-(3-aminopropyl)-N'-[(E)-1-fluorohex-2-en-3-yl]butane-1,4-diamine
CID 155072623
(3S)-5-fluoro-3,4-dimethyl-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine
CID 156226930

Frequently Asked Questions

What is the IUPAC name of (E,4R)-4-fluoro-N-(2-methylpropyl)hept-2-en-2-amine?
The IUPAC name of (E,4R)-4-fluoro-N-(2-methylpropyl)hept-2-en-2-amine (CID 139324079) is (E,4R)-4-fluoro-N-(2-methylpropyl)hept-2-en-2-amine.
What is the SMILES notation for (E,4R)-4-fluoro-N-(2-methylpropyl)hept-2-en-2-amine?
The canonical SMILES for (E,4R)-4-fluoro-N-(2-methylpropyl)hept-2-en-2-amine is CCC[C@@H](F)/C=C(\C)NCC(C)C.
What is the InChIKey of (E,4R)-4-fluoro-N-(2-methylpropyl)hept-2-en-2-amine?
The InChIKey is DERRXHWFPMMVAB-PFEDMVJOSA-N. The full InChI is InChI=1S/C11H22FN/c1-5-6-11(12)7-10(4)13-8-9(2)3/h7,9,11,13H,5-6,8H2,1-4H3/b10-7+/t11-/m1/s1.
What are the key properties of (E,4R)-4-fluoro-N-(2-methylpropyl)hept-2-en-2-amine?
(E,4R)-4-fluoro-N-(2-methylpropyl)hept-2-en-2-amine has a molecular weight of 187.30 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4-fluoro-N-(2-methylpropyl)hept-2-en-2-amine is sourced from PubChem (CID 139324079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).