2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine

C11H20N2 — CID 137399818

IUPAC2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine
SMILESC=C(/C=C\C)CC(C)/C=N/CCN
InChIInChI=1S/C11H20N2/c1-4-5-10(2)8-11(3)9-13-7-6-12/h4-5,9,11H,2,6-8,12H2,1,3H3/b5-4-,13-9+
InChIKeyJZMVPTBEZHGLIX-UVJMCMIKSA-N
MW180.29 g/mol
LogP2.17
Rot. Bonds6

About 2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine

2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine (PubChem CID 137399818) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine.

Molecular Properties

Compound Name2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine
PubChem CID137399818
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine
SMILESC=C(/C=C\C)CC(C)/C=N/CCN
InChIInChI=1S/C11H20N2/c1-4-5-10(2)8-11(3)9-13-7-6-12/h4-5,9,11H,2,6-8,12H2,1,3H3/b5-4-,13-9+
InChIKeyJZMVPTBEZHGLIX-UVJMCMIKSA-N
XLogP2.17
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine
CID 163413862
4-ethenyl-N,2-dimethylhept-4-en-1-imine
CID 91556772
(3E,5E)-4-methyl-2-prop-2-enylnona-3,5-diene-1,9-diimine
CID 118642051
(Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine
CID 123691013
(E,3E)-3-ethylidene-2-(methyliminomethyl)oct-5-en-1-amine
CID 126536282
(E)-3-(3-cyclohex-3-en-1-ylprop-2-enyl)-N'-methyl-4-methylidenepent-2-ene-1,5-diimine
CID 129238427
N-methyl-2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine
CID 137399817
1-[(E)-6-methyl-2-[(Z)-prop-1-enyl]hept-2-enyl]iminopropan-2-amine
CID 137535676
ethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine
CID 143221976
(3Z,6E,8Z)-10-methylimino-6-prop-2-enylidenedeca-3,8-dien-1-amine
CID 143776829
ethane;(Z)-4-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-1-imine
CID 144552273
[5-[(Z)-but-1-enyl]-6-methyl-3,4-dihydropyridin-4-yl]methanamine
CID 144615014

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine?
The IUPAC name of 2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine (CID 137399818) is 2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine.
What is the SMILES notation for 2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine?
The canonical SMILES for 2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine is C=C(/C=C\C)CC(C)/C=N/CCN.
What is the InChIKey of 2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine?
The InChIKey is JZMVPTBEZHGLIX-UVJMCMIKSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-5-10(2)8-11(3)9-13-7-6-12/h4-5,9,11H,2,6-8,12H2,1,3H3/b5-4-,13-9+.
What are the key properties of 2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine?
2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine has a molecular weight of 180.29 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine is sourced from PubChem (CID 137399818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).