(2E)-2-(ethylideneamino)-N-methylhepta-2,6-dien-1-amine

C10H18N2 — CID 88918558

IUPAC(2E)-2-(ethylideneamino)-N-methylhepta-2,6-dien-1-amine
SMILESC=CCC/C=C(CNC)/N=C/C
InChIInChI=1S/C10H18N2/c1-4-6-7-8-10(9-11-3)12-5-2/h4-5,8,11H,1,6-7,9H2,2-3H3/b10-8+,12-5+
InChIKeyXMDDLYOXLCPRGE-ZROACKIGSA-N
MW166.27 g/mol
LogP2.15
Rot. Bonds6

About (2E)-2-(ethylideneamino)-N-methylhepta-2,6-dien-1-amine

(2E)-2-(ethylideneamino)-N-methylhepta-2,6-dien-1-amine (PubChem CID 88918558) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2E)-2-(ethylideneamino)-N-methylhepta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-(ethylideneamino)-N-methylhepta-2,6-dien-1-amine
PubChem CID88918558
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2E)-2-(ethylideneamino)-N-methylhepta-2,6-dien-1-amine
SMILESC=CCC/C=C(CNC)/N=C/C
InChIInChI=1S/C10H18N2/c1-4-6-7-8-10(9-11-3)12-5-2/h4-5,8,11H,1,6-7,9H2,2-3H3/b10-8+,12-5+
InChIKeyXMDDLYOXLCPRGE-ZROACKIGSA-N
XLogP2.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.15
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(3H-pyrrol-5-yl)methanamine
CID 59927603
6-(ethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine
CID 68274131
(2E)-1-(ethylideneamino)-N-methylhepta-2,6-dien-2-amine
CID 88918559
N-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine
CID 89002162
(Z)-2-N-methyl-5-methyliminopent-3-ene-2,3-diamine
CID 89186150
(Z)-N-methyl-2-(methylideneamino)pent-2-en-1-amine
CID 89364135
N-[(3E,5Z,8Z)-7,7-dimethyl-1,2-dihydroazonin-3-yl]ethanimine
CID 129126581
(Z)-4-but-1-en-2-ylimino-N-methylbut-2-en-1-amine
CID 138493466
N-ethyl-N'-methyl-N'-[(Z)-2-(methylideneamino)hex-2-enyl]ethane-1,2-diamine
CID 138716181
ethane;(Z)-2-(ethylideneamino)-N-methylbut-2-en-1-amine
CID 142192212
(Z)-N-methyl-2-(prop-2-enylideneamino)but-2-en-1-amine
CID 142987756
(3Z,6Z,8E)-8-ethenyl-N-methyl-10-methylidene-5H-azecin-9-amine
CID 144222278

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(ethylideneamino)-N-methylhepta-2,6-dien-1-amine?
The IUPAC name of (2E)-2-(ethylideneamino)-N-methylhepta-2,6-dien-1-amine (CID 88918558) is (2E)-2-(ethylideneamino)-N-methylhepta-2,6-dien-1-amine.
What is the SMILES notation for (2E)-2-(ethylideneamino)-N-methylhepta-2,6-dien-1-amine?
The canonical SMILES for (2E)-2-(ethylideneamino)-N-methylhepta-2,6-dien-1-amine is C=CCC/C=C(CNC)/N=C/C.
What is the InChIKey of (2E)-2-(ethylideneamino)-N-methylhepta-2,6-dien-1-amine?
The InChIKey is XMDDLYOXLCPRGE-ZROACKIGSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-6-7-8-10(9-11-3)12-5-2/h4-5,8,11H,1,6-7,9H2,2-3H3/b10-8+,12-5+.
What are the key properties of (2E)-2-(ethylideneamino)-N-methylhepta-2,6-dien-1-amine?
(2E)-2-(ethylideneamino)-N-methylhepta-2,6-dien-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(ethylideneamino)-N-methylhepta-2,6-dien-1-amine is sourced from PubChem (CID 88918558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).