N,2-dimethylprop-2-en-1-imine;(Z)-3-methyloct-5-en-1-amine;propane

C17H36N2 — CID 163243171

IUPACN,2-dimethylprop-2-en-1-imine;(Z)-3-methyloct-5-en-1-amine;propane
SMILESC=C(C)/C=N/C.CC/C=C\CC(C)CCN.CCC
InChIInChI=1S/C9H19N.C5H9N.C3H8/c1-3-4-5-6-9(2)7-8-10;1-5(2)4-6-3;1-3-2/h4-5,9H,3,6-8,10H2,1-2H3;4H,1H2,2-3H3;3H2,1-2H3/b5-4-;6-4+;
InChIKeyDJODYZMZCYPGAZ-PASZOPLDSA-N
MW268.49 g/mol
LogP5.01
Rot. Bonds6

About N,2-dimethylprop-2-en-1-imine;(Z)-3-methyloct-5-en-1-amine;propane

N,2-dimethylprop-2-en-1-imine;(Z)-3-methyloct-5-en-1-amine;propane (PubChem CID 163243171) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N,2-dimethylprop-2-en-1-imine;(Z)-3-methyloct-5-en-1-amine;propane.

Molecular Properties

Compound NameN,2-dimethylprop-2-en-1-imine;(Z)-3-methyloct-5-en-1-amine;propane
PubChem CID163243171
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN,2-dimethylprop-2-en-1-imine;(Z)-3-methyloct-5-en-1-amine;propane
SMILESC=C(C)/C=N/C.CC/C=C\CC(C)CCN.CCC
InChIInChI=1S/C9H19N.C5H9N.C3H8/c1-3-4-5-6-9(2)7-8-10;1-5(2)4-6-3;1-3-2/h4-5,9H,3,6-8,10H2,1-2H3;4H,1H2,2-3H3;3H2,1-2H3/b5-4-;6-4+;
InChIKeyDJODYZMZCYPGAZ-PASZOPLDSA-N
XLogP5.01
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.49
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N,2-dimethylprop-2-en-1-imine;(Z)-3-methyloct-5-en-1-amine;propane with MolForge

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Related Compounds

(Z)-3-ethyl-4-methyliminonon-5-en-1-amine
CID 91420602
(E,3E)-3-ethylidene-2-(methyliminomethyl)oct-5-en-1-amine
CID 126536282
ethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine
CID 143221976
ethane;(4Z)-4-ethenyl-6,7-dimethylocta-4,6-dien-1-amine;(Z)-2-[(3Z)-6-ethyl-4-methylidene-3-[(Z)-3-methylpent-3-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-N-methylbut-2-en-1-imine;2-methylprop-1-ene
CID 145161789
[(E)-4-(2-aminoethyl)-6-methyloct-6-enylidene]-methylideneazanium
CID 163819994
(1Z,3E,7R)-3-butan-2-yl-5-ethyl-2-(ethyliminomethyl)nona-1,3,8-triene-1,7-diamine
CID 166992131
(Z)-N,2-diethyl-3-(methyliminomethyl)hex-3-en-1-amine
CID 177026198
(5Z)-5-methanimidoyl-4-methylocta-5,7-dien-1-amine
CID 176964311

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylprop-2-en-1-imine;(Z)-3-methyloct-5-en-1-amine;propane?
The IUPAC name of N,2-dimethylprop-2-en-1-imine;(Z)-3-methyloct-5-en-1-amine;propane (CID 163243171) is N,2-dimethylprop-2-en-1-imine;(Z)-3-methyloct-5-en-1-amine;propane.
What is the SMILES notation for N,2-dimethylprop-2-en-1-imine;(Z)-3-methyloct-5-en-1-amine;propane?
The canonical SMILES for N,2-dimethylprop-2-en-1-imine;(Z)-3-methyloct-5-en-1-amine;propane is C=C(C)/C=N/C.CC/C=C\CC(C)CCN.CCC.
What is the InChIKey of N,2-dimethylprop-2-en-1-imine;(Z)-3-methyloct-5-en-1-amine;propane?
The InChIKey is DJODYZMZCYPGAZ-PASZOPLDSA-N. The full InChI is InChI=1S/C9H19N.C5H9N.C3H8/c1-3-4-5-6-9(2)7-8-10;1-5(2)4-6-3;1-3-2/h4-5,9H,3,6-8,10H2,1-2H3;4H,1H2,2-3H3;3H2,1-2H3/b5-4-;6-4+;.
What are the key properties of N,2-dimethylprop-2-en-1-imine;(Z)-3-methyloct-5-en-1-amine;propane?
N,2-dimethylprop-2-en-1-imine;(Z)-3-methyloct-5-en-1-amine;propane has a molecular weight of 268.49 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylprop-2-en-1-imine;(Z)-3-methyloct-5-en-1-amine;propane is sourced from PubChem (CID 163243171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).