(3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine

C9H16N2 — CID 134313131

IUPAC(3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine
SMILESC=C(/C=C\C(N)=C/C)N(C)C
InChIInChI=1S/C9H16N2/c1-5-9(10)7-6-8(2)11(3)4/h5-7H,2,10H2,1,3-4H3/b7-6-,9-5+
InChIKeyZCAPBKGHLMBDDW-QRLJIZSYSA-N
MW152.24 g/mol
LogP1.48
Rot. Bonds3

About (3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine

(3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine (PubChem CID 134313131) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine.

Molecular Properties

Compound Name(3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine
PubChem CID134313131
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine
SMILESC=C(/C=C\C(N)=C/C)N(C)C
InChIInChI=1S/C9H16N2/c1-5-9(10)7-6-8(2)11(3)4/h5-7H,2,10H2,1,3-4H3/b7-6-,9-5+
InChIKeyZCAPBKGHLMBDDW-QRLJIZSYSA-N
XLogP1.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.48
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

4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine
CID 123366460
(4Z,6E)-6-amino-3-methylideneocta-4,6-dien-2-one
CID 163875262
(2Z)-4-(dimethylamino)penta-2,4-dienal
CID 45087254
(3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine
CID 166982153
ethyl (3Z,5E)-5-amino-2-methylidenehepta-3,5-dienoate
CID 89180128
(3Z)-5-[tert-butyl(ethyl)phosphanyl]-N,N-dimethylhexa-1,3,5-trien-2-amine
CID 144813242
potassium;carbanide;ethane;(2E,4Z)-hepta-2,4,6-trien-3-amine
CID 178170112
N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
CID 144734718
(2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine
CID 166698919
(3E)-N,N,2-trimethylpenta-1,3-dien-3-amine
CID 135214583
(1E)-3-[buta-1,3-dien-2-yl(methyl)amino]buta-1,3-dien-1-ol
CID 145449485
(2E,4E)-5-chloro-6-methoxyhepta-2,4,6-trien-3-amine
CID 143085247

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine?
The IUPAC name of (3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine (CID 134313131) is (3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine.
What is the SMILES notation for (3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine?
The canonical SMILES for (3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine is C=C(/C=C\C(N)=C/C)N(C)C.
What is the InChIKey of (3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine?
The InChIKey is ZCAPBKGHLMBDDW-QRLJIZSYSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-9(10)7-6-8(2)11(3)4/h5-7H,2,10H2,1,3-4H3/b7-6-,9-5+.
What are the key properties of (3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine?
(3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine has a molecular weight of 152.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine is sourced from PubChem (CID 134313131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).