(3Z,5E)-6-N-[(2E)-4-aminopenta-2,4-dien-2-yl]-3-N-tert-butyl-3-N,2,4-trimethylocta-1,3,5,7-tetraene-3,6-diamine

C20H33N3 — CID 155571723

IUPAC(3Z,5E)-6-N-[(2E)-4-aminopenta-2,4-dien-2-yl]-3-N-tert-butyl-3-N,2,4-trimethylocta-1,3,5,7-tetraene-3,6-diamine
SMILESC=C/C(=C\C(C)=C(\C(=C)C)N(C)C(C)(C)C)N/C(C)=C/C(=C)N
InChIInChI=1S/C20H33N3/c1-11-18(22-17(6)13-16(5)21)12-15(4)19(14(2)3)23(10)20(7,8)9/h11-13,22H,1-2,5,21H2,3-4,6-10H3/b17-13+,18-12+,19-15-
InChIKeyBUBVMKQJMMNSDZ-NEZLOCDLSA-N
MW315.51 g/mol
LogP4.60
Rot. Bonds7

About (3Z,5E)-6-N-[(2E)-4-aminopenta-2,4-dien-2-yl]-3-N-tert-butyl-3-N,2,4-trimethylocta-1,3,5,7-tetraene-3,6-diamine

(3Z,5E)-6-N-[(2E)-4-aminopenta-2,4-dien-2-yl]-3-N-tert-butyl-3-N,2,4-trimethylocta-1,3,5,7-tetraene-3,6-diamine (PubChem CID 155571723) has the molecular formula C20H33N3 and a molecular weight of 315.51 g/mol. Its IUPAC name is (3Z,5E)-6-N-[(2E)-4-aminopenta-2,4-dien-2-yl]-3-N-tert-butyl-3-N,2,4-trimethylocta-1,3,5,7-tetraene-3,6-diamine.

Molecular Properties

Compound Name(3Z,5E)-6-N-[(2E)-4-aminopenta-2,4-dien-2-yl]-3-N-tert-butyl-3-N,2,4-trimethylocta-1,3,5,7-tetraene-3,6-diamine
PubChem CID155571723
Molecular FormulaC20H33N3
Molecular Weight315.51 g/mol
Exact Mass315.27
IUPAC Name(3Z,5E)-6-N-[(2E)-4-aminopenta-2,4-dien-2-yl]-3-N-tert-butyl-3-N,2,4-trimethylocta-1,3,5,7-tetraene-3,6-diamine
SMILESC=C/C(=C\C(C)=C(\C(=C)C)N(C)C(C)(C)C)N/C(C)=C/C(=C)N
InChIInChI=1S/C20H33N3/c1-11-18(22-17(6)13-16(5)21)12-15(4)19(14(2)3)23(10)20(7,8)9/h11-13,22H,1-2,5,21H2,3-4,6-10H3/b17-13+,18-12+,19-15-
InChIKeyBUBVMKQJMMNSDZ-NEZLOCDLSA-N
XLogP4.60
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.51
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z,5E)-6-N-[(2E)-4-aminopenta-2,4-dien-2-yl]-3-N-tert-butyl-3-N,2,4-trimethylocta-1,3,5,7-tetraene-3,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6-N-[(2E)-4-aminopenta-2,4-dien-2-yl]-3-N-tert-butyl-3-N,2,4-trimethylocta-1,3,5,7-tetraene-3,6-diamine?
The IUPAC name of (3Z,5E)-6-N-[(2E)-4-aminopenta-2,4-dien-2-yl]-3-N-tert-butyl-3-N,2,4-trimethylocta-1,3,5,7-tetraene-3,6-diamine (CID 155571723) is (3Z,5E)-6-N-[(2E)-4-aminopenta-2,4-dien-2-yl]-3-N-tert-butyl-3-N,2,4-trimethylocta-1,3,5,7-tetraene-3,6-diamine.
What is the SMILES notation for (3Z,5E)-6-N-[(2E)-4-aminopenta-2,4-dien-2-yl]-3-N-tert-butyl-3-N,2,4-trimethylocta-1,3,5,7-tetraene-3,6-diamine?
The canonical SMILES for (3Z,5E)-6-N-[(2E)-4-aminopenta-2,4-dien-2-yl]-3-N-tert-butyl-3-N,2,4-trimethylocta-1,3,5,7-tetraene-3,6-diamine is C=C/C(=C\C(C)=C(\C(=C)C)N(C)C(C)(C)C)N/C(C)=C/C(=C)N.
What is the InChIKey of (3Z,5E)-6-N-[(2E)-4-aminopenta-2,4-dien-2-yl]-3-N-tert-butyl-3-N,2,4-trimethylocta-1,3,5,7-tetraene-3,6-diamine?
The InChIKey is BUBVMKQJMMNSDZ-NEZLOCDLSA-N. The full InChI is InChI=1S/C20H33N3/c1-11-18(22-17(6)13-16(5)21)12-15(4)19(14(2)3)23(10)20(7,8)9/h11-13,22H,1-2,5,21H2,3-4,6-10H3/b17-13+,18-12+,19-15-.
What are the key properties of (3Z,5E)-6-N-[(2E)-4-aminopenta-2,4-dien-2-yl]-3-N-tert-butyl-3-N,2,4-trimethylocta-1,3,5,7-tetraene-3,6-diamine?
(3Z,5E)-6-N-[(2E)-4-aminopenta-2,4-dien-2-yl]-3-N-tert-butyl-3-N,2,4-trimethylocta-1,3,5,7-tetraene-3,6-diamine has a molecular weight of 315.51 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6-N-[(2E)-4-aminopenta-2,4-dien-2-yl]-3-N-tert-butyl-3-N,2,4-trimethylocta-1,3,5,7-tetraene-3,6-diamine is sourced from PubChem (CID 155571723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).