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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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).