(6E,8Z)-7-(aminomethyl)-2-ethyl-4-methyl-8-[1-(propan-2-ylideneamino)ethylidene]deca-6,9-diene-1,9-diamine

C19H36N4 — CID 155014926

IUPAC(6E,8Z)-7-(aminomethyl)-2-ethyl-4-methyl-8-[1-(propan-2-ylideneamino)ethylidene]deca-6,9-diene-1,9-diamine
SMILESC=C(N)C(=C(/C)N=C(C)C)/C(=C\CC(C)CC(CC)CN)CN
InChIInChI=1S/C19H36N4/c1-7-17(11-20)10-14(4)8-9-18(12-21)19(15(5)22)16(6)23-13(2)3/h9,14,17H,5,7-8,10-12,20-22H2,1-4,6H3/b18-9-,19-16+
InChIKeyQIQOMNWCGDGMRV-IBHFBHHQSA-N
MW320.53 g/mol
LogP3.50
Rot. Bonds10

About (6E,8Z)-7-(aminomethyl)-2-ethyl-4-methyl-8-[1-(propan-2-ylideneamino)ethylidene]deca-6,9-diene-1,9-diamine

(6E,8Z)-7-(aminomethyl)-2-ethyl-4-methyl-8-[1-(propan-2-ylideneamino)ethylidene]deca-6,9-diene-1,9-diamine (PubChem CID 155014926) has the molecular formula C19H36N4 and a molecular weight of 320.53 g/mol. Its IUPAC name is (6E,8Z)-7-(aminomethyl)-2-ethyl-4-methyl-8-[1-(propan-2-ylideneamino)ethylidene]deca-6,9-diene-1,9-diamine.

Molecular Properties

Compound Name(6E,8Z)-7-(aminomethyl)-2-ethyl-4-methyl-8-[1-(propan-2-ylideneamino)ethylidene]deca-6,9-diene-1,9-diamine
PubChem CID155014926
Molecular FormulaC19H36N4
Molecular Weight320.53 g/mol
Exact Mass320.29
IUPAC Name(6E,8Z)-7-(aminomethyl)-2-ethyl-4-methyl-8-[1-(propan-2-ylideneamino)ethylidene]deca-6,9-diene-1,9-diamine
SMILESC=C(N)C(=C(/C)N=C(C)C)/C(=C\CC(C)CC(CC)CN)CN
InChIInChI=1S/C19H36N4/c1-7-17(11-20)10-14(4)8-9-18(12-21)19(15(5)22)16(6)23-13(2)3/h9,14,17H,5,7-8,10-12,20-22H2,1-4,6H3/b18-9-,19-16+
InChIKeyQIQOMNWCGDGMRV-IBHFBHHQSA-N
XLogP3.50
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (6E,8Z)-7-(aminomethyl)-2-ethyl-4-methyl-8-[1-(propan-2-ylideneamino)ethylidene]deca-6,9-diene-1,9-diamine?
The IUPAC name of (6E,8Z)-7-(aminomethyl)-2-ethyl-4-methyl-8-[1-(propan-2-ylideneamino)ethylidene]deca-6,9-diene-1,9-diamine (CID 155014926) is (6E,8Z)-7-(aminomethyl)-2-ethyl-4-methyl-8-[1-(propan-2-ylideneamino)ethylidene]deca-6,9-diene-1,9-diamine.
What is the SMILES notation for (6E,8Z)-7-(aminomethyl)-2-ethyl-4-methyl-8-[1-(propan-2-ylideneamino)ethylidene]deca-6,9-diene-1,9-diamine?
The canonical SMILES for (6E,8Z)-7-(aminomethyl)-2-ethyl-4-methyl-8-[1-(propan-2-ylideneamino)ethylidene]deca-6,9-diene-1,9-diamine is C=C(N)C(=C(/C)N=C(C)C)/C(=C\CC(C)CC(CC)CN)CN.
What is the InChIKey of (6E,8Z)-7-(aminomethyl)-2-ethyl-4-methyl-8-[1-(propan-2-ylideneamino)ethylidene]deca-6,9-diene-1,9-diamine?
The InChIKey is QIQOMNWCGDGMRV-IBHFBHHQSA-N. The full InChI is InChI=1S/C19H36N4/c1-7-17(11-20)10-14(4)8-9-18(12-21)19(15(5)22)16(6)23-13(2)3/h9,14,17H,5,7-8,10-12,20-22H2,1-4,6H3/b18-9-,19-16+.
What are the key properties of (6E,8Z)-7-(aminomethyl)-2-ethyl-4-methyl-8-[1-(propan-2-ylideneamino)ethylidene]deca-6,9-diene-1,9-diamine?
(6E,8Z)-7-(aminomethyl)-2-ethyl-4-methyl-8-[1-(propan-2-ylideneamino)ethylidene]deca-6,9-diene-1,9-diamine has a molecular weight of 320.53 g/mol, XLogP of 3.50, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8Z)-7-(aminomethyl)-2-ethyl-4-methyl-8-[1-(propan-2-ylideneamino)ethylidene]deca-6,9-diene-1,9-diamine is sourced from PubChem (CID 155014926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).