(Z)-N,2,5-trimethyl-N-[(E)-pent-2-en-2-yl]oct-3-en-1-amine

C16H31N — CID 137457725

IUPAC(Z)-N,2,5-trimethyl-N-[(E)-pent-2-en-2-yl]oct-3-en-1-amine
SMILESCC/C=C(\C)N(C)CC(C)/C=C\C(C)CCC
InChIInChI=1S/C16H31N/c1-7-9-14(3)11-12-15(4)13-17(6)16(5)10-8-2/h10-12,14-15H,7-9,13H2,1-6H3/b12-11-,16-10+
InChIKeyIBWRRGDXZILXNQ-GZQRZBQGSA-N
MW237.43 g/mol
LogP4.86
Rot. Bonds8

About (Z)-N,2,5-trimethyl-N-[(E)-pent-2-en-2-yl]oct-3-en-1-amine

(Z)-N,2,5-trimethyl-N-[(E)-pent-2-en-2-yl]oct-3-en-1-amine (PubChem CID 137457725) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is (Z)-N,2,5-trimethyl-N-[(E)-pent-2-en-2-yl]oct-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N,2,5-trimethyl-N-[(E)-pent-2-en-2-yl]oct-3-en-1-amine
PubChem CID137457725
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name(Z)-N,2,5-trimethyl-N-[(E)-pent-2-en-2-yl]oct-3-en-1-amine
SMILESCC/C=C(\C)N(C)CC(C)/C=C\C(C)CCC
InChIInChI=1S/C16H31N/c1-7-9-14(3)11-12-15(4)13-17(6)16(5)10-8-2/h10-12,14-15H,7-9,13H2,1-6H3/b12-11-,16-10+
InChIKeyIBWRRGDXZILXNQ-GZQRZBQGSA-N
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,2,5-trimethyl-N-[(E)-pent-2-en-2-yl]oct-3-en-1-amine?
The IUPAC name of (Z)-N,2,5-trimethyl-N-[(E)-pent-2-en-2-yl]oct-3-en-1-amine (CID 137457725) is (Z)-N,2,5-trimethyl-N-[(E)-pent-2-en-2-yl]oct-3-en-1-amine.
What is the SMILES notation for (Z)-N,2,5-trimethyl-N-[(E)-pent-2-en-2-yl]oct-3-en-1-amine?
The canonical SMILES for (Z)-N,2,5-trimethyl-N-[(E)-pent-2-en-2-yl]oct-3-en-1-amine is CC/C=C(\C)N(C)CC(C)/C=C\C(C)CCC.
What is the InChIKey of (Z)-N,2,5-trimethyl-N-[(E)-pent-2-en-2-yl]oct-3-en-1-amine?
The InChIKey is IBWRRGDXZILXNQ-GZQRZBQGSA-N. The full InChI is InChI=1S/C16H31N/c1-7-9-14(3)11-12-15(4)13-17(6)16(5)10-8-2/h10-12,14-15H,7-9,13H2,1-6H3/b12-11-,16-10+.
What are the key properties of (Z)-N,2,5-trimethyl-N-[(E)-pent-2-en-2-yl]oct-3-en-1-amine?
(Z)-N,2,5-trimethyl-N-[(E)-pent-2-en-2-yl]oct-3-en-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2,5-trimethyl-N-[(E)-pent-2-en-2-yl]oct-3-en-1-amine is sourced from PubChem (CID 137457725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).