(2E)-3,7-dimethyl-N-(3-methylbutyl)-N-prop-2-enylocta-2,6-dien-1-amine

C18H33N — CID 138519061

IUPAC(2E)-3,7-dimethyl-N-(3-methylbutyl)-N-prop-2-enylocta-2,6-dien-1-amine
SMILESC=CCN(C/C=C(\C)CCC=C(C)C)CCC(C)C
InChIInChI=1S/C18H33N/c1-7-13-19(14-11-17(4)5)15-12-18(6)10-8-9-16(2)3/h7,9,12,17H,1,8,10-11,13-15H2,2-6H3/b18-12+
InChIKeyBQXMSCOMYUCKQT-LDADJPATSA-N
MW263.47 g/mol
LogP5.21
Rot. Bonds10

About (2E)-3,7-dimethyl-N-(3-methylbutyl)-N-prop-2-enylocta-2,6-dien-1-amine

(2E)-3,7-dimethyl-N-(3-methylbutyl)-N-prop-2-enylocta-2,6-dien-1-amine (PubChem CID 138519061) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is (2E)-3,7-dimethyl-N-(3-methylbutyl)-N-prop-2-enylocta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E)-3,7-dimethyl-N-(3-methylbutyl)-N-prop-2-enylocta-2,6-dien-1-amine
PubChem CID138519061
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name(2E)-3,7-dimethyl-N-(3-methylbutyl)-N-prop-2-enylocta-2,6-dien-1-amine
SMILESC=CCN(C/C=C(\C)CCC=C(C)C)CCC(C)C
InChIInChI=1S/C18H33N/c1-7-13-19(14-11-17(4)5)15-12-18(6)10-8-9-16(2)3/h7,9,12,17H,1,8,10-11,13-15H2,2-6H3/b18-12+
InChIKeyBQXMSCOMYUCKQT-LDADJPATSA-N
XLogP5.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6E,10E,14E)-2,6,10,15,18-pentamethylnonadeca-2,6,10,14-tetraene
CID 58369783
(2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane
CID 145357021
(6E)-10-ethenyl-2,6,13-trimethyltetradeca-2,6-diene
CID 140642313
N-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide
CID 76600230
(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine
CID 10586730
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
N-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide
CID 76600040
17-methyl-N,N-bis(prop-2-enyl)octadecan-1-amine
CID 153323373
(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol
CID 10890690
(2E,6E)-3,7,11-trimethyl-1-(3-methylbutylsulfanyl)dodeca-2,6,10-triene
CID 144519189
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318

Frequently Asked Questions

What is the IUPAC name of (2E)-3,7-dimethyl-N-(3-methylbutyl)-N-prop-2-enylocta-2,6-dien-1-amine?
The IUPAC name of (2E)-3,7-dimethyl-N-(3-methylbutyl)-N-prop-2-enylocta-2,6-dien-1-amine (CID 138519061) is (2E)-3,7-dimethyl-N-(3-methylbutyl)-N-prop-2-enylocta-2,6-dien-1-amine.
What is the SMILES notation for (2E)-3,7-dimethyl-N-(3-methylbutyl)-N-prop-2-enylocta-2,6-dien-1-amine?
The canonical SMILES for (2E)-3,7-dimethyl-N-(3-methylbutyl)-N-prop-2-enylocta-2,6-dien-1-amine is C=CCN(C/C=C(\C)CCC=C(C)C)CCC(C)C.
What is the InChIKey of (2E)-3,7-dimethyl-N-(3-methylbutyl)-N-prop-2-enylocta-2,6-dien-1-amine?
The InChIKey is BQXMSCOMYUCKQT-LDADJPATSA-N. The full InChI is InChI=1S/C18H33N/c1-7-13-19(14-11-17(4)5)15-12-18(6)10-8-9-16(2)3/h7,9,12,17H,1,8,10-11,13-15H2,2-6H3/b18-12+.
What are the key properties of (2E)-3,7-dimethyl-N-(3-methylbutyl)-N-prop-2-enylocta-2,6-dien-1-amine?
(2E)-3,7-dimethyl-N-(3-methylbutyl)-N-prop-2-enylocta-2,6-dien-1-amine has a molecular weight of 263.47 g/mol, XLogP of 5.21, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,7-dimethyl-N-(3-methylbutyl)-N-prop-2-enylocta-2,6-dien-1-amine is sourced from PubChem (CID 138519061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).