4-N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-N,3,3,4-tetramethyl-1-N-(methylaminomethyl)-1-N-[3-methyl-4-(propan-2-ylamino)penta-1,4-dien-2-yl]pentane-1,4-diamine

C26H48N4 — CID 138706096

IUPAC4-N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-N,3,3,4-tetramethyl-1-N-(methylaminomethyl)-1-N-[3-methyl-4-(propan-2-ylamino)penta-1,4-dien-2-yl]pentane-1,4-diamine
SMILESC=C/C=C\C(=C)N(C)C(C)(C)C(C)(C)CCN(CNC)C(=C)C(C)C(=C)NC(C)C
InChIInChI=1S/C26H48N4/c1-14-15-16-21(4)29(13)26(10,11)25(8,9)17-18-30(19-27-12)24(7)22(5)23(6)28-20(2)3/h14-16,20,22,27-28H,1,4,6-7,17-19H2,2-3,5,8-13H3/b16-15-
InChIKeyGKPOIUMVIARWBN-NXVVXOECSA-N
MW416.70 g/mol
LogP5.51
Rot. Bonds15

About 4-N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-N,3,3,4-tetramethyl-1-N-(methylaminomethyl)-1-N-[3-methyl-4-(propan-2-ylamino)penta-1,4-dien-2-yl]pentane-1,4-diamine

4-N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-N,3,3,4-tetramethyl-1-N-(methylaminomethyl)-1-N-[3-methyl-4-(propan-2-ylamino)penta-1,4-dien-2-yl]pentane-1,4-diamine (PubChem CID 138706096) has the molecular formula C26H48N4 and a molecular weight of 416.70 g/mol. Its IUPAC name is 4-N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-N,3,3,4-tetramethyl-1-N-(methylaminomethyl)-1-N-[3-methyl-4-(propan-2-ylamino)penta-1,4-dien-2-yl]pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-N,3,3,4-tetramethyl-1-N-(methylaminomethyl)-1-N-[3-methyl-4-(propan-2-ylamino)penta-1,4-dien-2-yl]pentane-1,4-diamine
PubChem CID138706096
Molecular FormulaC26H48N4
Molecular Weight416.70 g/mol
Exact Mass416.39
IUPAC Name4-N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-N,3,3,4-tetramethyl-1-N-(methylaminomethyl)-1-N-[3-methyl-4-(propan-2-ylamino)penta-1,4-dien-2-yl]pentane-1,4-diamine
SMILESC=C/C=C\C(=C)N(C)C(C)(C)C(C)(C)CCN(CNC)C(=C)C(C)C(=C)NC(C)C
InChIInChI=1S/C26H48N4/c1-14-15-16-21(4)29(13)26(10,11)25(8,9)17-18-30(19-27-12)24(7)22(5)23(6)28-20(2)3/h14-16,20,22,27-28H,1,4,6-7,17-19H2,2-3,5,8-13H3/b16-15-
InChIKeyGKPOIUMVIARWBN-NXVVXOECSA-N
XLogP5.51
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.70
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-N,3,3,4-tetramethyl-1-N-(methylaminomethyl)-1-N-[3-methyl-4-(propan-2-ylamino)penta-1,4-dien-2-yl]pentane-1,4-diamine with MolForge

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Related Compounds

5-N-[1-[(2-but-3-enyl-4-methylhex-5-enyl)amino]ethenyl]-2-N-tert-butyl-6,6-dimethylhept-1-ene-2,5-diamine;4-N-[3-[(1R,3S)-2,2-dimethyl-3-[[methyl(prop-1-en-2-yl)amino]methyl]cyclopropyl]prop-1-en-2-yl]-6-methyl-3-methylideneoct-1-ene-2,4-diamine;ethane;propane
CID 143352789
1-N-[(ethenylamino)methyl]-4-N,3,3-trimethyl-1-N-[1-(methylamino)ethenyl]-4-N-[(3Z,5Z)-octa-3,5,7-trien-4-yl]pentane-1,4-diamine
CID 146658570
N'-[2-methyl-4-[(1E)-3-(methylamino)buta-1,3-dienyl]cyclohexa-1,5-dien-1-yl]-N-propan-2-yl-N'-(3,5,5-trimethylhexyl)methanediamine
CID 143424488

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-N,3,3,4-tetramethyl-1-N-(methylaminomethyl)-1-N-[3-methyl-4-(propan-2-ylamino)penta-1,4-dien-2-yl]pentane-1,4-diamine?
The IUPAC name of 4-N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-N,3,3,4-tetramethyl-1-N-(methylaminomethyl)-1-N-[3-methyl-4-(propan-2-ylamino)penta-1,4-dien-2-yl]pentane-1,4-diamine (CID 138706096) is 4-N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-N,3,3,4-tetramethyl-1-N-(methylaminomethyl)-1-N-[3-methyl-4-(propan-2-ylamino)penta-1,4-dien-2-yl]pentane-1,4-diamine.
What is the SMILES notation for 4-N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-N,3,3,4-tetramethyl-1-N-(methylaminomethyl)-1-N-[3-methyl-4-(propan-2-ylamino)penta-1,4-dien-2-yl]pentane-1,4-diamine?
The canonical SMILES for 4-N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-N,3,3,4-tetramethyl-1-N-(methylaminomethyl)-1-N-[3-methyl-4-(propan-2-ylamino)penta-1,4-dien-2-yl]pentane-1,4-diamine is C=C/C=C\C(=C)N(C)C(C)(C)C(C)(C)CCN(CNC)C(=C)C(C)C(=C)NC(C)C.
What is the InChIKey of 4-N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-N,3,3,4-tetramethyl-1-N-(methylaminomethyl)-1-N-[3-methyl-4-(propan-2-ylamino)penta-1,4-dien-2-yl]pentane-1,4-diamine?
The InChIKey is GKPOIUMVIARWBN-NXVVXOECSA-N. The full InChI is InChI=1S/C26H48N4/c1-14-15-16-21(4)29(13)26(10,11)25(8,9)17-18-30(19-27-12)24(7)22(5)23(6)28-20(2)3/h14-16,20,22,27-28H,1,4,6-7,17-19H2,2-3,5,8-13H3/b16-15-.
What are the key properties of 4-N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-N,3,3,4-tetramethyl-1-N-(methylaminomethyl)-1-N-[3-methyl-4-(propan-2-ylamino)penta-1,4-dien-2-yl]pentane-1,4-diamine?
4-N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-N,3,3,4-tetramethyl-1-N-(methylaminomethyl)-1-N-[3-methyl-4-(propan-2-ylamino)penta-1,4-dien-2-yl]pentane-1,4-diamine has a molecular weight of 416.70 g/mol, XLogP of 5.51, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-N,3,3,4-tetramethyl-1-N-(methylaminomethyl)-1-N-[3-methyl-4-(propan-2-ylamino)penta-1,4-dien-2-yl]pentane-1,4-diamine is sourced from PubChem (CID 138706096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).