(E)-4-(chloromethyl)-N,N-dimethyloct-4-en-2-amine

C11H22ClN — CID 174502351

IUPAC(E)-4-(chloromethyl)-N,N-dimethyloct-4-en-2-amine
SMILESCCC/C=C(/CCl)CC(C)N(C)C
InChIInChI=1S/C11H22ClN/c1-5-6-7-11(9-12)8-10(2)13(3)4/h7,10H,5-6,8-9H2,1-4H3/b11-7+
InChIKeyQKCAPQFLAXTSLS-YRNVUSSQSA-N
MW203.76 g/mol
LogP3.29
Rot. Bonds6

About (E)-4-(chloromethyl)-N,N-dimethyloct-4-en-2-amine

(E)-4-(chloromethyl)-N,N-dimethyloct-4-en-2-amine (PubChem CID 174502351) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is (E)-4-(chloromethyl)-N,N-dimethyloct-4-en-2-amine.

Molecular Properties

Compound Name(E)-4-(chloromethyl)-N,N-dimethyloct-4-en-2-amine
PubChem CID174502351
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name(E)-4-(chloromethyl)-N,N-dimethyloct-4-en-2-amine
SMILESCCC/C=C(/CCl)CC(C)N(C)C
InChIInChI=1S/C11H22ClN/c1-5-6-7-11(9-12)8-10(2)13(3)4/h7,10H,5-6,8-9H2,1-4H3/b11-7+
InChIKeyQKCAPQFLAXTSLS-YRNVUSSQSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(E)-N-[(2S)-butan-2-yl]-N-methylhex-2-en-2-amine
CID 138725680
(2E,4R,6E)-6-ethyl-2-iodo-4-methyldeca-2,6-diene
CID 11515038
ethyl 3-(dimethylamino)butanoate
CID 3020377
hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene
CID 172808064
4-prop-2-enylocta-1,4-diene
CID 173317146
4-bromo-N,N-dimethylpent-4-en-2-amine
CID 146393047
(E)-2-chlorohex-2-ene
CID 19796923
N,N-di(propan-2-yl)oct-4-en-4-amine
CID 141319755
1-(5-ethylnon-5-en-2-yl)bicyclo[1.1.0]butane
CID 123892560

Frequently Asked Questions

What is the IUPAC name of (E)-4-(chloromethyl)-N,N-dimethyloct-4-en-2-amine?
The IUPAC name of (E)-4-(chloromethyl)-N,N-dimethyloct-4-en-2-amine (CID 174502351) is (E)-4-(chloromethyl)-N,N-dimethyloct-4-en-2-amine.
What is the SMILES notation for (E)-4-(chloromethyl)-N,N-dimethyloct-4-en-2-amine?
The canonical SMILES for (E)-4-(chloromethyl)-N,N-dimethyloct-4-en-2-amine is CCC/C=C(/CCl)CC(C)N(C)C.
What is the InChIKey of (E)-4-(chloromethyl)-N,N-dimethyloct-4-en-2-amine?
The InChIKey is QKCAPQFLAXTSLS-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H22ClN/c1-5-6-7-11(9-12)8-10(2)13(3)4/h7,10H,5-6,8-9H2,1-4H3/b11-7+.
What are the key properties of (E)-4-(chloromethyl)-N,N-dimethyloct-4-en-2-amine?
(E)-4-(chloromethyl)-N,N-dimethyloct-4-en-2-amine has a molecular weight of 203.76 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(chloromethyl)-N,N-dimethyloct-4-en-2-amine is sourced from PubChem (CID 174502351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).