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

C10H18N2 — CID 88918559

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

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

(2E)-1-(ethylideneamino)-N-methylhepta-2,6-dien-2-amine (PubChem CID 88918559) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2E)-1-(ethylideneamino)-N-methylhepta-2,6-dien-2-amine.

Molecular Properties

Compound Name(2E)-1-(ethylideneamino)-N-methylhepta-2,6-dien-2-amine
PubChem CID88918559
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2E)-1-(ethylideneamino)-N-methylhepta-2,6-dien-2-amine
SMILESC=CCC/C=C(\C/N=C/C)NC
InChIInChI=1S/C10H18N2/c1-4-6-7-8-10(11-3)9-12-5-2/h4-5,8,11H,1,6-7,9H2,2-3H3/b10-8+,12-5+
InChIKeyLPVPCSLRMVRTGW-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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Frequently Asked Questions

What is the IUPAC name of (2E)-1-(ethylideneamino)-N-methylhepta-2,6-dien-2-amine?
The IUPAC name of (2E)-1-(ethylideneamino)-N-methylhepta-2,6-dien-2-amine (CID 88918559) is (2E)-1-(ethylideneamino)-N-methylhepta-2,6-dien-2-amine.
What is the SMILES notation for (2E)-1-(ethylideneamino)-N-methylhepta-2,6-dien-2-amine?
The canonical SMILES for (2E)-1-(ethylideneamino)-N-methylhepta-2,6-dien-2-amine is C=CCC/C=C(\C/N=C/C)NC.
What is the InChIKey of (2E)-1-(ethylideneamino)-N-methylhepta-2,6-dien-2-amine?
The InChIKey is LPVPCSLRMVRTGW-ZROACKIGSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-6-7-8-10(11-3)9-12-5-2/h4-5,8,11H,1,6-7,9H2,2-3H3/b10-8+,12-5+.
What are the key properties of (2E)-1-(ethylideneamino)-N-methylhepta-2,6-dien-2-amine?
(2E)-1-(ethylideneamino)-N-methylhepta-2,6-dien-2-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)-1-(ethylideneamino)-N-methylhepta-2,6-dien-2-amine is sourced from PubChem (CID 88918559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).