4-N'-[4-[3-(4-amino-5-methylideneocta-1,7-dien-4-yl)-1,3,5-triazinan-1-yl]-5-methylideneocta-1,7-dien-4-yl]-5-methylideneocta-1,7-diene-4,4-diamine

C30H48N6 — CID 67865178

IUPAC4-N'-[4-[3-(4-amino-5-methylideneocta-1,7-dien-4-yl)-1,3,5-triazinan-1-yl]-5-methylideneocta-1,7-dien-4-yl]-5-methylideneocta-1,7-diene-4,4-diamine
SMILESC=CCC(=C)C(N)(CC=C)NC(CC=C)(C(=C)CC=C)N1CNCN(C(N)(CC=C)C(=C)CC=C)C1
InChIInChI=1S/C30H48N6/c1-10-16-25(7)28(31,19-13-4)34-30(21-15-6,27(9)18-12-3)36-23-33-22-35(24-36)29(32,20-14-5)26(8)17-11-2/h10-15,33-34H,1-9,16-24,31-32H2
InChIKeyNYYDYWVWBFUGDV-UHFFFAOYSA-N
MW492.76 g/mol
LogP4.79
Rot. Bonds19

About 4-N'-[4-[3-(4-amino-5-methylideneocta-1,7-dien-4-yl)-1,3,5-triazinan-1-yl]-5-methylideneocta-1,7-dien-4-yl]-5-methylideneocta-1,7-diene-4,4-diamine

4-N'-[4-[3-(4-amino-5-methylideneocta-1,7-dien-4-yl)-1,3,5-triazinan-1-yl]-5-methylideneocta-1,7-dien-4-yl]-5-methylideneocta-1,7-diene-4,4-diamine (PubChem CID 67865178) has the molecular formula C30H48N6 and a molecular weight of 492.76 g/mol. Its IUPAC name is 4-N'-[4-[3-(4-amino-5-methylideneocta-1,7-dien-4-yl)-1,3,5-triazinan-1-yl]-5-methylideneocta-1,7-dien-4-yl]-5-methylideneocta-1,7-diene-4,4-diamine.

Molecular Properties

Compound Name4-N'-[4-[3-(4-amino-5-methylideneocta-1,7-dien-4-yl)-1,3,5-triazinan-1-yl]-5-methylideneocta-1,7-dien-4-yl]-5-methylideneocta-1,7-diene-4,4-diamine
PubChem CID67865178
Molecular FormulaC30H48N6
Molecular Weight492.76 g/mol
Exact Mass492.39
IUPAC Name4-N'-[4-[3-(4-amino-5-methylideneocta-1,7-dien-4-yl)-1,3,5-triazinan-1-yl]-5-methylideneocta-1,7-dien-4-yl]-5-methylideneocta-1,7-diene-4,4-diamine
SMILESC=CCC(=C)C(N)(CC=C)NC(CC=C)(C(=C)CC=C)N1CNCN(C(N)(CC=C)C(=C)CC=C)C1
InChIInChI=1S/C30H48N6/c1-10-16-25(7)28(31,19-13-4)34-30(21-15-6,27(9)18-12-3)36-23-33-22-35(24-36)29(32,20-14-5)26(8)17-11-2/h10-15,33-34H,1-9,16-24,31-32H2
InChIKeyNYYDYWVWBFUGDV-UHFFFAOYSA-N
XLogP4.79
TPSA82.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.76
LogP ≤ 54.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-N'-[4-[3-(4-amino-5-methylideneocta-1,7-dien-4-yl)-1,3,5-triazinan-1-yl]-5-methylideneocta-1,7-dien-4-yl]-5-methylideneocta-1,7-diene-4,4-diamine with MolForge

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Related Compounds

4-[3,5-Bis(4-amino-5-methylideneocta-1,7-dien-4-yl)-1,3,5-triazinan-1-yl]-5-methylideneocta-1,7-dien-4-amine
CID 67865182
1-[1,2-bis[1-[bis(prop-2-enyl)amino]prop-2-enyl]-1,3,5-triazinan-2-yl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine
CID 69721234
2-(Diethylamino)ethyl-methyl-[3-(piperidin-1-ylmethylamino)hexa-1,5-dien-3-yl]azanium
CID 173199010
3-N'-[2-(diethylamino)ethyl]-3-N'-methyl-3-N-(piperidin-1-ylmethyl)hexa-1,5-diene-3,3-diamine
CID 173199011

Frequently Asked Questions

What is the IUPAC name of 4-N'-[4-[3-(4-amino-5-methylideneocta-1,7-dien-4-yl)-1,3,5-triazinan-1-yl]-5-methylideneocta-1,7-dien-4-yl]-5-methylideneocta-1,7-diene-4,4-diamine?
The IUPAC name of 4-N'-[4-[3-(4-amino-5-methylideneocta-1,7-dien-4-yl)-1,3,5-triazinan-1-yl]-5-methylideneocta-1,7-dien-4-yl]-5-methylideneocta-1,7-diene-4,4-diamine (CID 67865178) is 4-N'-[4-[3-(4-amino-5-methylideneocta-1,7-dien-4-yl)-1,3,5-triazinan-1-yl]-5-methylideneocta-1,7-dien-4-yl]-5-methylideneocta-1,7-diene-4,4-diamine.
What is the SMILES notation for 4-N'-[4-[3-(4-amino-5-methylideneocta-1,7-dien-4-yl)-1,3,5-triazinan-1-yl]-5-methylideneocta-1,7-dien-4-yl]-5-methylideneocta-1,7-diene-4,4-diamine?
The canonical SMILES for 4-N'-[4-[3-(4-amino-5-methylideneocta-1,7-dien-4-yl)-1,3,5-triazinan-1-yl]-5-methylideneocta-1,7-dien-4-yl]-5-methylideneocta-1,7-diene-4,4-diamine is C=CCC(=C)C(N)(CC=C)NC(CC=C)(C(=C)CC=C)N1CNCN(C(N)(CC=C)C(=C)CC=C)C1.
What is the InChIKey of 4-N'-[4-[3-(4-amino-5-methylideneocta-1,7-dien-4-yl)-1,3,5-triazinan-1-yl]-5-methylideneocta-1,7-dien-4-yl]-5-methylideneocta-1,7-diene-4,4-diamine?
The InChIKey is NYYDYWVWBFUGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N6/c1-10-16-25(7)28(31,19-13-4)34-30(21-15-6,27(9)18-12-3)36-23-33-22-35(24-36)29(32,20-14-5)26(8)17-11-2/h10-15,33-34H,1-9,16-24,31-32H2.
What are the key properties of 4-N'-[4-[3-(4-amino-5-methylideneocta-1,7-dien-4-yl)-1,3,5-triazinan-1-yl]-5-methylideneocta-1,7-dien-4-yl]-5-methylideneocta-1,7-diene-4,4-diamine?
4-N'-[4-[3-(4-amino-5-methylideneocta-1,7-dien-4-yl)-1,3,5-triazinan-1-yl]-5-methylideneocta-1,7-dien-4-yl]-5-methylideneocta-1,7-diene-4,4-diamine has a molecular weight of 492.76 g/mol, XLogP of 4.79, 19 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N'-[4-[3-(4-amino-5-methylideneocta-1,7-dien-4-yl)-1,3,5-triazinan-1-yl]-5-methylideneocta-1,7-dien-4-yl]-5-methylideneocta-1,7-diene-4,4-diamine is sourced from PubChem (CID 67865178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).