(1Z)-3-tert-butyl-1-N'-methyl-1-N'-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]penta-1,4-diene-1,1-diamine

C17H28N2 — CID 89110438

IUPAC(1Z)-3-tert-butyl-1-N'-methyl-1-N'-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]penta-1,4-diene-1,1-diamine
SMILESC=C/C(C)=C\C=C\N(C)/C(N)=C\C(C=C)C(C)(C)C
InChIInChI=1S/C17H28N2/c1-8-14(3)11-10-12-19(7)16(18)13-15(9-2)17(4,5)6/h8-13,15H,1-2,18H2,3-7H3/b12-10+,14-11-,16-13-
InChIKeyRRGIFLOPRYVMSX-KMWQVDMFSA-N
MW260.43 g/mol
LogP4.21
Rot. Bonds6

About (1Z)-3-tert-butyl-1-N'-methyl-1-N'-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]penta-1,4-diene-1,1-diamine

(1Z)-3-tert-butyl-1-N'-methyl-1-N'-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]penta-1,4-diene-1,1-diamine (PubChem CID 89110438) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is (1Z)-3-tert-butyl-1-N'-methyl-1-N'-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]penta-1,4-diene-1,1-diamine.

Molecular Properties

Compound Name(1Z)-3-tert-butyl-1-N'-methyl-1-N'-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]penta-1,4-diene-1,1-diamine
PubChem CID89110438
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name(1Z)-3-tert-butyl-1-N'-methyl-1-N'-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]penta-1,4-diene-1,1-diamine
SMILESC=C/C(C)=C\C=C\N(C)/C(N)=C\C(C=C)C(C)(C)C
InChIInChI=1S/C17H28N2/c1-8-14(3)11-10-12-19(7)16(18)13-15(9-2)17(4,5)6/h8-13,15H,1-2,18H2,3-7H3/b12-10+,14-11-,16-13-
InChIKeyRRGIFLOPRYVMSX-KMWQVDMFSA-N
XLogP4.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z)-3-tert-butyl-1-N'-methyl-1-N'-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]penta-1,4-diene-1,1-diamine with MolForge

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Related Compounds

(3S)-3-tert-butyl-5-methylhexa-1,4-diene
CID 59105635
3-tert-butylpenta-1,4-diene
CID 12556609
(3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene
CID 89192283
(3Z,5E)-3,7-dimethylocta-1,3,5-triene
CID 6436632
methane;(3E,5Z,7Z)-3-methylnona-1,3,5,7-tetraene
CID 144724119
(1E,3Z)-1-chloro-4-methylhexa-1,3,5-triene
CID 87415346
(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
CID 88558934
(1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine
CID 20710682
3,7-dimethylnona-1,3,5,7-tetraene
CID 54076671
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
(3E,5E,7R,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene
CID 162885437
(3E,5E)-7,7-difluoro-3,6-dimethylhepta-1,3,5-triene
CID 134447442

Frequently Asked Questions

What is the IUPAC name of (1Z)-3-tert-butyl-1-N'-methyl-1-N'-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]penta-1,4-diene-1,1-diamine?
The IUPAC name of (1Z)-3-tert-butyl-1-N'-methyl-1-N'-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]penta-1,4-diene-1,1-diamine (CID 89110438) is (1Z)-3-tert-butyl-1-N'-methyl-1-N'-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]penta-1,4-diene-1,1-diamine.
What is the SMILES notation for (1Z)-3-tert-butyl-1-N'-methyl-1-N'-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]penta-1,4-diene-1,1-diamine?
The canonical SMILES for (1Z)-3-tert-butyl-1-N'-methyl-1-N'-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]penta-1,4-diene-1,1-diamine is C=C/C(C)=C\C=C\N(C)/C(N)=C\C(C=C)C(C)(C)C.
What is the InChIKey of (1Z)-3-tert-butyl-1-N'-methyl-1-N'-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]penta-1,4-diene-1,1-diamine?
The InChIKey is RRGIFLOPRYVMSX-KMWQVDMFSA-N. The full InChI is InChI=1S/C17H28N2/c1-8-14(3)11-10-12-19(7)16(18)13-15(9-2)17(4,5)6/h8-13,15H,1-2,18H2,3-7H3/b12-10+,14-11-,16-13-.
What are the key properties of (1Z)-3-tert-butyl-1-N'-methyl-1-N'-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]penta-1,4-diene-1,1-diamine?
(1Z)-3-tert-butyl-1-N'-methyl-1-N'-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]penta-1,4-diene-1,1-diamine has a molecular weight of 260.43 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-tert-butyl-1-N'-methyl-1-N'-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]penta-1,4-diene-1,1-diamine is sourced from PubChem (CID 89110438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).