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

C12H22N2 — CID 137399817

IUPACN-methyl-2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine
SMILESC=C(/C=C\C)CC(C)/C=N/CCNC
InChIInChI=1S/C12H22N2/c1-5-6-11(2)9-12(3)10-14-8-7-13-4/h5-6,10,12-13H,2,7-9H2,1,3-4H3/b6-5-,14-10+
InChIKeyOEKUSRBMXNIOSZ-WULNTPNUSA-N
MW194.32 g/mol
LogP2.44
Rot. Bonds7

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

N-methyl-2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine (PubChem CID 137399817) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-methyl-2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine
PubChem CID137399817
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-methyl-2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine
SMILESC=C(/C=C\C)CC(C)/C=N/CCNC
InChIInChI=1S/C12H22N2/c1-5-6-11(2)9-12(3)10-14-8-7-13-4/h5-6,10,12-13H,2,7-9H2,1,3-4H3/b6-5-,14-10+
InChIKeyOEKUSRBMXNIOSZ-WULNTPNUSA-N
XLogP2.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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
2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine
CID 137399818
1-[(E)-6-methyl-2-[(Z)-prop-1-enyl]hept-2-enyl]iminopropan-2-amine
CID 137535676
(2-Ethylcyclopenta-2,4-dien-1-yl)methylidene-methylazanium
CID 163543370
(1E,3Z)-4-N,2-dimethyl-3-[(2R)-4-methyliminobutan-2-yl]hexa-1,3,5-triene-1,4-diamine
CID 173762686
(Z,2E)-6-[2-(dimethylamino)ethylimino]-2-ethylidene-N,5-dimethylhex-3-en-1-amine
CID 143645269

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine?
The IUPAC name of N-methyl-2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine (CID 137399817) is N-methyl-2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine.
What is the SMILES notation for N-methyl-2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine?
The canonical SMILES for N-methyl-2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine is C=C(/C=C\C)CC(C)/C=N/CCNC.
What is the InChIKey of N-methyl-2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine?
The InChIKey is OEKUSRBMXNIOSZ-WULNTPNUSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-6-11(2)9-12(3)10-14-8-7-13-4/h5-6,10,12-13H,2,7-9H2,1,3-4H3/b6-5-,14-10+.
What are the key properties of N-methyl-2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine?
N-methyl-2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine has a molecular weight of 194.32 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine is sourced from PubChem (CID 137399817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).