(3E)-5-(ethylideneamino)-N,3-dimethylhexa-3,5-dien-1-amine;methanamine

C11H23N3 — CID 156739203

IUPAC(3E)-5-(ethylideneamino)-N,3-dimethylhexa-3,5-dien-1-amine;methanamine
SMILESC=C(/C=C(\C)CCNC)/N=C/C.CN
InChIInChI=1S/C10H18N2.CH5N/c1-5-12-10(3)8-9(2)6-7-11-4;1-2/h5,8,11H,3,6-7H2,1-2,4H3;2H2,1H3/b9-8+,12-5+;
InChIKeyMMBXUHLRSJDFRF-ZCYAQBJDSA-N
MW197.33 g/mol
LogP1.72
Rot. Bonds5

About (3E)-5-(ethylideneamino)-N,3-dimethylhexa-3,5-dien-1-amine;methanamine

(3E)-5-(ethylideneamino)-N,3-dimethylhexa-3,5-dien-1-amine;methanamine (PubChem CID 156739203) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is (3E)-5-(ethylideneamino)-N,3-dimethylhexa-3,5-dien-1-amine;methanamine.

Molecular Properties

Compound Name(3E)-5-(ethylideneamino)-N,3-dimethylhexa-3,5-dien-1-amine;methanamine
PubChem CID156739203
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name(3E)-5-(ethylideneamino)-N,3-dimethylhexa-3,5-dien-1-amine;methanamine
SMILESC=C(/C=C(\C)CCNC)/N=C/C.CN
InChIInChI=1S/C10H18N2.CH5N/c1-5-12-10(3)8-9(2)6-7-11-4;1-2/h5,8,11H,3,6-7H2,1-2,4H3;2H2,1H3/b9-8+,12-5+;
InChIKeyMMBXUHLRSJDFRF-ZCYAQBJDSA-N
XLogP1.72
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine
CID 138713182
(2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 170047278
(1E,3E)-1-(ethylideneamino)-2-methyl-N-(2,2,2-trifluoroethyl)hexa-1,3-dien-3-amine
CID 173699246
(5E)-N-methyl-8-propyl-7-(trifluoromethyl)-3,4-dihydroazocin-5-amine
CID 173941023
N'-[4-(fluoromethyl)-2,7-dihydroazocin-5-yl]-N,N'-dimethylpropane-1,3-diamine
CID 174194532
10-methyl-9-methylidene-8H-pyrrolo[2,3-d]azonine
CID 91195157
N-methyl-2-[(1E,3Z,5Z)-5-methylhepta-1,3,5-trienyl]iminoethanamine
CID 88538338
(Z)-N-methyl-1-methyliminohex-2-en-3-amine
CID 88953346
4-Methyl-6,7-dihydro-1,6-naphthyridine
CID 89263435
(3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine
CID 89390271
(Z)-1-(3,4-dihydropyridin-5-yl)-N-methylprop-1-en-1-amine
CID 89491188
[3-(3-Methylbut-2-enylidene)-2-propylidene-4-pyridinyl]methanamine
CID 90974862

Frequently Asked Questions

What is the IUPAC name of (3E)-5-(ethylideneamino)-N,3-dimethylhexa-3,5-dien-1-amine;methanamine?
The IUPAC name of (3E)-5-(ethylideneamino)-N,3-dimethylhexa-3,5-dien-1-amine;methanamine (CID 156739203) is (3E)-5-(ethylideneamino)-N,3-dimethylhexa-3,5-dien-1-amine;methanamine.
What is the SMILES notation for (3E)-5-(ethylideneamino)-N,3-dimethylhexa-3,5-dien-1-amine;methanamine?
The canonical SMILES for (3E)-5-(ethylideneamino)-N,3-dimethylhexa-3,5-dien-1-amine;methanamine is C=C(/C=C(\C)CCNC)/N=C/C.CN.
What is the InChIKey of (3E)-5-(ethylideneamino)-N,3-dimethylhexa-3,5-dien-1-amine;methanamine?
The InChIKey is MMBXUHLRSJDFRF-ZCYAQBJDSA-N. The full InChI is InChI=1S/C10H18N2.CH5N/c1-5-12-10(3)8-9(2)6-7-11-4;1-2/h5,8,11H,3,6-7H2,1-2,4H3;2H2,1H3/b9-8+,12-5+;.
What are the key properties of (3E)-5-(ethylideneamino)-N,3-dimethylhexa-3,5-dien-1-amine;methanamine?
(3E)-5-(ethylideneamino)-N,3-dimethylhexa-3,5-dien-1-amine;methanamine has a molecular weight of 197.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-(ethylideneamino)-N,3-dimethylhexa-3,5-dien-1-amine;methanamine is sourced from PubChem (CID 156739203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).