N,2-dimethyl-N-propylocta-2,5,7-trien-3-amine

C13H23N — CID 123415629

IUPACN,2-dimethyl-N-propylocta-2,5,7-trien-3-amine
SMILESC=CC=CCC(=C(C)C)N(C)CCC
InChIInChI=1S/C13H23N/c1-6-8-9-10-13(12(3)4)14(5)11-7-2/h6,8-9H,1,7,10-11H2,2-5H3
InChIKeyGTCUVDZKTJEWGZ-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.75
Rot. Bonds6

About N,2-dimethyl-N-propylocta-2,5,7-trien-3-amine

N,2-dimethyl-N-propylocta-2,5,7-trien-3-amine (PubChem CID 123415629) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N,2-dimethyl-N-propylocta-2,5,7-trien-3-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-propylocta-2,5,7-trien-3-amine
PubChem CID123415629
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN,2-dimethyl-N-propylocta-2,5,7-trien-3-amine
SMILESC=CC=CCC(=C(C)C)N(C)CCC
InChIInChI=1S/C13H23N/c1-6-8-9-10-13(12(3)4)14(5)11-7-2/h6,8-9H,1,7,10-11H2,2-5H3
InChIKeyGTCUVDZKTJEWGZ-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethanamine, 1-(2,4-cyclopentadien-1-ylidene)-N,N-dimethyl-
CID 585126
2-Diethylaminomethylphenyllithium
CID 21399648
Dimethylaminofulvene
CID 90007951
N-(dimethyloctadienyl)diethylamine
CID 129811778
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine
CID 123501893
(2Z,4Z)-3-fluoro-N,N,6-trimethylhepta-2,4,6-trien-2-amine
CID 142309140
N-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine
CID 143566790
(3E,5Z)-7-(fluoromethyl)-N,3-dimethyl-N-propylocta-3,5,7-trien-2-amine
CID 146586092
(3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine
CID 146595703
(2E,3Z)-2-ethylidene-N-(2-fluoroethyl)-N,5-dimethylhexa-3,5-dien-1-amine
CID 155197917
2-(fluoromethyl)-N-[(2Z,4E)-hexa-2,4-dien-2-yl]-N,3,4-trimethylcyclohepta-1,3,5-trien-1-amine
CID 167244767

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-propylocta-2,5,7-trien-3-amine?
The IUPAC name of N,2-dimethyl-N-propylocta-2,5,7-trien-3-amine (CID 123415629) is N,2-dimethyl-N-propylocta-2,5,7-trien-3-amine.
What is the SMILES notation for N,2-dimethyl-N-propylocta-2,5,7-trien-3-amine?
The canonical SMILES for N,2-dimethyl-N-propylocta-2,5,7-trien-3-amine is C=CC=CCC(=C(C)C)N(C)CCC.
What is the InChIKey of N,2-dimethyl-N-propylocta-2,5,7-trien-3-amine?
The InChIKey is GTCUVDZKTJEWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-6-8-9-10-13(12(3)4)14(5)11-7-2/h6,8-9H,1,7,10-11H2,2-5H3.
What are the key properties of N,2-dimethyl-N-propylocta-2,5,7-trien-3-amine?
N,2-dimethyl-N-propylocta-2,5,7-trien-3-amine has a molecular weight of 193.33 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-propylocta-2,5,7-trien-3-amine is sourced from PubChem (CID 123415629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).