(3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine

C10H18N2 — CID 142864476

IUPAC(3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine
SMILESC=C/C(=C(N)\C=C/C)N(C)CC
InChIInChI=1S/C10H18N2/c1-5-8-9(11)10(6-2)12(4)7-3/h5-6,8H,2,7,11H2,1,3-4H3/b8-5-,10-9-
InChIKeySJCUWCRGBXVUGM-IVXNCWGASA-N
MW166.27 g/mol
LogP1.87
Rot. Bonds4

About (3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine

(3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine (PubChem CID 142864476) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine.

Molecular Properties

Compound Name(3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine
PubChem CID142864476
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine
SMILESC=C/C(=C(N)\C=C/C)N(C)CC
InChIInChI=1S/C10H18N2/c1-5-8-9(11)10(6-2)12(4)7-3/h5-6,8H,2,7,11H2,1,3-4H3/b8-5-,10-9-
InChIKeySJCUWCRGBXVUGM-IVXNCWGASA-N
XLogP1.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.87
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

(2Z,4E,6Z)-5-ethenylocta-2,4,6-trien-4-amine
CID 170027215
N-ethyl-N-methylbuta-1,3-dien-2-amine
CID 123199652
(3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine
CID 162762569
(E)-N-ethyl-N-methylbut-2-enamide
CID 88882032
(Z)-N-ethyl-N-methylbut-2-enamide
CID 90437080
(3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine
CID 138613612
(2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 129043675
N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
CID 144734718
(3E,5Z)-3-methylocta-1,3,5-trien-4-amine
CID 88993026
(3E,5Z)-N-butyl-N-methylhepta-1,3,5-trien-4-amine
CID 143005008
(2Z,4Z)-5-[2-(dimethylamino)ethoxy]hepta-2,4-dien-4-amine
CID 143245749
(3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine
CID 155176361

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine?
The IUPAC name of (3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine (CID 142864476) is (3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine.
What is the SMILES notation for (3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine?
The canonical SMILES for (3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine is C=C/C(=C(N)\C=C/C)N(C)CC.
What is the InChIKey of (3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine?
The InChIKey is SJCUWCRGBXVUGM-IVXNCWGASA-N. The full InChI is InChI=1S/C10H18N2/c1-5-8-9(11)10(6-2)12(4)7-3/h5-6,8H,2,7,11H2,1,3-4H3/b8-5-,10-9-.
What are the key properties of (3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine?
(3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine is sourced from PubChem (CID 142864476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).