(2Z,3E)-1-N,3-N-ditert-butyl-2-ethylidenehexa-3,5-diene-1,3-diamine

C16H30N2 — CID 134402656

IUPAC(2Z,3E)-1-N,3-N-ditert-butyl-2-ethylidenehexa-3,5-diene-1,3-diamine
SMILESC=C/C=C(NC(C)(C)C)\C(=C/C)CNC(C)(C)C
InChIInChI=1S/C16H30N2/c1-9-11-14(18-16(6,7)8)13(10-2)12-17-15(3,4)5/h9-11,17-18H,1,12H2,2-8H3/b13-10-,14-11+
InChIKeyGCRRRTVNKGEZJQ-FXYWYECCSA-N
MW250.43 g/mol
LogP3.78
Rot. Bonds5

About (2Z,3E)-1-N,3-N-ditert-butyl-2-ethylidenehexa-3,5-diene-1,3-diamine

(2Z,3E)-1-N,3-N-ditert-butyl-2-ethylidenehexa-3,5-diene-1,3-diamine (PubChem CID 134402656) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is (2Z,3E)-1-N,3-N-ditert-butyl-2-ethylidenehexa-3,5-diene-1,3-diamine.

Molecular Properties

Compound Name(2Z,3E)-1-N,3-N-ditert-butyl-2-ethylidenehexa-3,5-diene-1,3-diamine
PubChem CID134402656
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name(2Z,3E)-1-N,3-N-ditert-butyl-2-ethylidenehexa-3,5-diene-1,3-diamine
SMILESC=C/C=C(NC(C)(C)C)\C(=C/C)CNC(C)(C)C
InChIInChI=1S/C16H30N2/c1-9-11-14(18-16(6,7)8)13(10-2)12-17-15(3,4)5/h9-11,17-18H,1,12H2,2-8H3/b13-10-,14-11+
InChIKeyGCRRRTVNKGEZJQ-FXYWYECCSA-N
XLogP3.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,3E)-1-N,3-N-ditert-butyl-2-ethylidenehexa-3,5-diene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine
CID 134291684
(1E,3E,5E)-8-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-1-N,2,3,6-tetramethylnona-1,3,5,8-tetraene-1,8-diamine
CID 137465227
(4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine
CID 138528342
(1E,3E,5E)-3-N-[(2E,4E)-3,4-difluorohepta-2,4,6-trienyl]-1-N-methyl-6-(1,2,3,6-tetrahydropyridin-5-yl)hepta-1,3,5-triene-1,3-diamine
CID 138711347
(3E,4Z)-N-butyl-3-ethylidene-6-fluorohepta-1,4,6-trien-2-amine
CID 142066618
(3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 142956605
5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine
CID 145195918
(3Z)-2-N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-5-N-[(3Z)-5-[[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]amino]hexa-1,3,5-trien-2-yl]hexa-1,3,5-triene-2,5-diamine
CID 145210524
(3Z,4E)-3-[(Z)-2,2-difluorohex-4-en-3-ylidene]-N-propylocta-1,4-dien-2-amine
CID 145289231
(3E,4E)-N-ethyl-3-ethylidene-5-fluorohexa-1,4-dien-2-amine
CID 146521727
(3Z,5S,6Z)-8-fluoro-3-N,5-dimethyl-4-N-[(Z)-2-methylhex-3-en-2-yl]nona-3,6,8-triene-3,4,6-triamine
CID 148227999
(3E,5Z,7E)-6-fluoro-3-methyl-2-N-propan-2-yldeca-1,3,5,7-tetraene-2,5-diamine
CID 153577901

Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-1-N,3-N-ditert-butyl-2-ethylidenehexa-3,5-diene-1,3-diamine?
The IUPAC name of (2Z,3E)-1-N,3-N-ditert-butyl-2-ethylidenehexa-3,5-diene-1,3-diamine (CID 134402656) is (2Z,3E)-1-N,3-N-ditert-butyl-2-ethylidenehexa-3,5-diene-1,3-diamine.
What is the SMILES notation for (2Z,3E)-1-N,3-N-ditert-butyl-2-ethylidenehexa-3,5-diene-1,3-diamine?
The canonical SMILES for (2Z,3E)-1-N,3-N-ditert-butyl-2-ethylidenehexa-3,5-diene-1,3-diamine is C=C/C=C(NC(C)(C)C)\C(=C/C)CNC(C)(C)C.
What is the InChIKey of (2Z,3E)-1-N,3-N-ditert-butyl-2-ethylidenehexa-3,5-diene-1,3-diamine?
The InChIKey is GCRRRTVNKGEZJQ-FXYWYECCSA-N. The full InChI is InChI=1S/C16H30N2/c1-9-11-14(18-16(6,7)8)13(10-2)12-17-15(3,4)5/h9-11,17-18H,1,12H2,2-8H3/b13-10-,14-11+.
What are the key properties of (2Z,3E)-1-N,3-N-ditert-butyl-2-ethylidenehexa-3,5-diene-1,3-diamine?
(2Z,3E)-1-N,3-N-ditert-butyl-2-ethylidenehexa-3,5-diene-1,3-diamine has a molecular weight of 250.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-1-N,3-N-ditert-butyl-2-ethylidenehexa-3,5-diene-1,3-diamine is sourced from PubChem (CID 134402656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).