(3E,5Z)-N,3-dimethyl-N,5-di(propan-2-yl)octa-1,3,5-trien-2-amine

C16H29N — CID 167069160

IUPAC(3E,5Z)-N,3-dimethyl-N,5-di(propan-2-yl)octa-1,3,5-trien-2-amine
SMILESC=C(/C(C)=C/C(=C\CC)C(C)C)N(C)C(C)C
InChIInChI=1S/C16H29N/c1-9-10-16(12(2)3)11-14(6)15(7)17(8)13(4)5/h10-13H,7,9H2,1-6,8H3/b14-11+,16-10+
InChIKeyGHRWIDZJVUNPLC-VKFAFFLXSA-N
MW235.41 g/mol
LogP4.78
Rot. Bonds6

About (3E,5Z)-N,3-dimethyl-N,5-di(propan-2-yl)octa-1,3,5-trien-2-amine

(3E,5Z)-N,3-dimethyl-N,5-di(propan-2-yl)octa-1,3,5-trien-2-amine (PubChem CID 167069160) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (3E,5Z)-N,3-dimethyl-N,5-di(propan-2-yl)octa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E,5Z)-N,3-dimethyl-N,5-di(propan-2-yl)octa-1,3,5-trien-2-amine
PubChem CID167069160
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(3E,5Z)-N,3-dimethyl-N,5-di(propan-2-yl)octa-1,3,5-trien-2-amine
SMILESC=C(/C(C)=C/C(=C\CC)C(C)C)N(C)C(C)C
InChIInChI=1S/C16H29N/c1-9-10-16(12(2)3)11-14(6)15(7)17(8)13(4)5/h10-13H,7,9H2,1-6,8H3/b14-11+,16-10+
InChIKeyGHRWIDZJVUNPLC-VKFAFFLXSA-N
XLogP4.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N,3-dimethyl-N,5-di(propan-2-yl)octa-1,3,5-trien-2-amine?
The IUPAC name of (3E,5Z)-N,3-dimethyl-N,5-di(propan-2-yl)octa-1,3,5-trien-2-amine (CID 167069160) is (3E,5Z)-N,3-dimethyl-N,5-di(propan-2-yl)octa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E,5Z)-N,3-dimethyl-N,5-di(propan-2-yl)octa-1,3,5-trien-2-amine?
The canonical SMILES for (3E,5Z)-N,3-dimethyl-N,5-di(propan-2-yl)octa-1,3,5-trien-2-amine is C=C(/C(C)=C/C(=C\CC)C(C)C)N(C)C(C)C.
What is the InChIKey of (3E,5Z)-N,3-dimethyl-N,5-di(propan-2-yl)octa-1,3,5-trien-2-amine?
The InChIKey is GHRWIDZJVUNPLC-VKFAFFLXSA-N. The full InChI is InChI=1S/C16H29N/c1-9-10-16(12(2)3)11-14(6)15(7)17(8)13(4)5/h10-13H,7,9H2,1-6,8H3/b14-11+,16-10+.
What are the key properties of (3E,5Z)-N,3-dimethyl-N,5-di(propan-2-yl)octa-1,3,5-trien-2-amine?
(3E,5Z)-N,3-dimethyl-N,5-di(propan-2-yl)octa-1,3,5-trien-2-amine has a molecular weight of 235.41 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N,3-dimethyl-N,5-di(propan-2-yl)octa-1,3,5-trien-2-amine is sourced from PubChem (CID 167069160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).