(2E)-3,7-dimethyl-N-[(E)-prop-1-enyl]octa-2,6-dien-1-amine

C13H23N — CID 142550105

IUPAC(2E)-3,7-dimethyl-N-[(E)-prop-1-enyl]octa-2,6-dien-1-amine
SMILESC/C=C/NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C13H23N/c1-5-10-14-11-9-13(4)8-6-7-12(2)3/h5,7,9-10,14H,6,8,11H2,1-4H3/b10-5+,13-9+
InChIKeyROOVGRGXSTYKNR-UIJSIPAGSA-N
MW193.33 g/mol
LogP3.80
Rot. Bonds6

About (2E)-3,7-dimethyl-N-[(E)-prop-1-enyl]octa-2,6-dien-1-amine

(2E)-3,7-dimethyl-N-[(E)-prop-1-enyl]octa-2,6-dien-1-amine (PubChem CID 142550105) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (2E)-3,7-dimethyl-N-[(E)-prop-1-enyl]octa-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E)-3,7-dimethyl-N-[(E)-prop-1-enyl]octa-2,6-dien-1-amine
PubChem CID142550105
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(2E)-3,7-dimethyl-N-[(E)-prop-1-enyl]octa-2,6-dien-1-amine
SMILESC/C=C/NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C13H23N/c1-5-10-14-11-9-13(4)8-6-7-12(2)3/h5,7,9-10,14H,6,8,11H2,1-4H3/b10-5+,13-9+
InChIKeyROOVGRGXSTYKNR-UIJSIPAGSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine
CID 142828314
(2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine
CID 141263523
(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide
CID 11521413
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
CID 59266741
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide
CID 14993064
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
N-tert-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
CID 54479150

Frequently Asked Questions

What is the IUPAC name of (2E)-3,7-dimethyl-N-[(E)-prop-1-enyl]octa-2,6-dien-1-amine?
The IUPAC name of (2E)-3,7-dimethyl-N-[(E)-prop-1-enyl]octa-2,6-dien-1-amine (CID 142550105) is (2E)-3,7-dimethyl-N-[(E)-prop-1-enyl]octa-2,6-dien-1-amine.
What is the SMILES notation for (2E)-3,7-dimethyl-N-[(E)-prop-1-enyl]octa-2,6-dien-1-amine?
The canonical SMILES for (2E)-3,7-dimethyl-N-[(E)-prop-1-enyl]octa-2,6-dien-1-amine is C/C=C/NC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E)-3,7-dimethyl-N-[(E)-prop-1-enyl]octa-2,6-dien-1-amine?
The InChIKey is ROOVGRGXSTYKNR-UIJSIPAGSA-N. The full InChI is InChI=1S/C13H23N/c1-5-10-14-11-9-13(4)8-6-7-12(2)3/h5,7,9-10,14H,6,8,11H2,1-4H3/b10-5+,13-9+.
What are the key properties of (2E)-3,7-dimethyl-N-[(E)-prop-1-enyl]octa-2,6-dien-1-amine?
(2E)-3,7-dimethyl-N-[(E)-prop-1-enyl]octa-2,6-dien-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,7-dimethyl-N-[(E)-prop-1-enyl]octa-2,6-dien-1-amine is sourced from PubChem (CID 142550105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).