(Z)-4-N,5,5-trimethyl-4-N-[(2E)-penta-2,4-dien-2-yl]hex-3-ene-2,4-diamine

C14H26N2 — CID 134547515

IUPAC(Z)-4-N,5,5-trimethyl-4-N-[(2E)-penta-2,4-dien-2-yl]hex-3-ene-2,4-diamine
SMILESC=C/C=C(\C)N(C)/C(=C\C(C)N)C(C)(C)C
InChIInChI=1S/C14H26N2/c1-8-9-12(3)16(7)13(10-11(2)15)14(4,5)6/h8-11H,1,15H2,2-7H3/b12-9+,13-10-
InChIKeyUJLOYSRJUGHWJA-FMYPVGJQSA-N
MW222.38 g/mol
LogP3.29
Rot. Bonds4

About (Z)-4-N,5,5-trimethyl-4-N-[(2E)-penta-2,4-dien-2-yl]hex-3-ene-2,4-diamine

(Z)-4-N,5,5-trimethyl-4-N-[(2E)-penta-2,4-dien-2-yl]hex-3-ene-2,4-diamine (PubChem CID 134547515) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (Z)-4-N,5,5-trimethyl-4-N-[(2E)-penta-2,4-dien-2-yl]hex-3-ene-2,4-diamine.

Molecular Properties

Compound Name(Z)-4-N,5,5-trimethyl-4-N-[(2E)-penta-2,4-dien-2-yl]hex-3-ene-2,4-diamine
PubChem CID134547515
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(Z)-4-N,5,5-trimethyl-4-N-[(2E)-penta-2,4-dien-2-yl]hex-3-ene-2,4-diamine
SMILESC=C/C=C(\C)N(C)/C(=C\C(C)N)C(C)(C)C
InChIInChI=1S/C14H26N2/c1-8-9-12(3)16(7)13(10-11(2)15)14(4,5)6/h8-11H,1,15H2,2-7H3/b12-9+,13-10-
InChIKeyUJLOYSRJUGHWJA-FMYPVGJQSA-N
XLogP3.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z,7E)-6-fluoro-3-methyl-2-N-propan-2-yldeca-1,3,5,7-tetraene-2,5-diamine
CID 153577901
(3Z)-2-N-[(3E,5E)-6-fluoroocta-3,5,7-trienyl]-5-N,5-N-dimethylhexa-1,3,5-triene-2,5-diamine
CID 170213094
(2Z,4Z)-5-N-ethyl-5-N-fluoro-6,9-dimethyldeca-2,4,6,7,8-pentaene-1,5-diamine
CID 173898163
1-N,2-N-di(propan-2-yl)cyclohepta-1,3,5-triene-1,2-diamine
CID 100978369
2,6-bis(N,N-dimethylaminomethylene)pyridine
CID 129847810
2,6-Ditert-butyl-1,2-dihydropyridine
CID 17915368
2-(1-methyl-2H-pyridin-6-yl)ethanamine
CID 17953340
6-Tert-butyl-1,2-dihydropyridine
CID 19606121
1-N,1-N-diethylcyclohexa-3,5-diene-1,3-diamine
CID 21525081
2-(1,2-dimethyl-2H-pyridin-6-yl)ethanamine
CID 21695882
3-(2-methyl-2H-pyridin-1-yl)propan-1-amine
CID 21850067
4-(1-propan-2-yl-2H-pyridin-5-yl)but-3-en-1-amine
CID 57127600

Frequently Asked Questions

What is the IUPAC name of (Z)-4-N,5,5-trimethyl-4-N-[(2E)-penta-2,4-dien-2-yl]hex-3-ene-2,4-diamine?
The IUPAC name of (Z)-4-N,5,5-trimethyl-4-N-[(2E)-penta-2,4-dien-2-yl]hex-3-ene-2,4-diamine (CID 134547515) is (Z)-4-N,5,5-trimethyl-4-N-[(2E)-penta-2,4-dien-2-yl]hex-3-ene-2,4-diamine.
What is the SMILES notation for (Z)-4-N,5,5-trimethyl-4-N-[(2E)-penta-2,4-dien-2-yl]hex-3-ene-2,4-diamine?
The canonical SMILES for (Z)-4-N,5,5-trimethyl-4-N-[(2E)-penta-2,4-dien-2-yl]hex-3-ene-2,4-diamine is C=C/C=C(\C)N(C)/C(=C\C(C)N)C(C)(C)C.
What is the InChIKey of (Z)-4-N,5,5-trimethyl-4-N-[(2E)-penta-2,4-dien-2-yl]hex-3-ene-2,4-diamine?
The InChIKey is UJLOYSRJUGHWJA-FMYPVGJQSA-N. The full InChI is InChI=1S/C14H26N2/c1-8-9-12(3)16(7)13(10-11(2)15)14(4,5)6/h8-11H,1,15H2,2-7H3/b12-9+,13-10-.
What are the key properties of (Z)-4-N,5,5-trimethyl-4-N-[(2E)-penta-2,4-dien-2-yl]hex-3-ene-2,4-diamine?
(Z)-4-N,5,5-trimethyl-4-N-[(2E)-penta-2,4-dien-2-yl]hex-3-ene-2,4-diamine has a molecular weight of 222.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-N,5,5-trimethyl-4-N-[(2E)-penta-2,4-dien-2-yl]hex-3-ene-2,4-diamine is sourced from PubChem (CID 134547515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).