(3E,5Z)-N-but-1-en-2-yl-7-methylocta-3,5-dien-3-amine

C13H23N — CID 142114381

IUPAC(3E,5Z)-N-but-1-en-2-yl-7-methylocta-3,5-dien-3-amine
SMILESC=C(CC)N/C(=C/C=C\C(C)C)CC
InChIInChI=1S/C13H23N/c1-6-12(5)14-13(7-2)10-8-9-11(3)4/h8-11,14H,5-7H2,1-4H3/b9-8-,13-10+
InChIKeyCYQVBFNSHQPZRI-JQHRQWORSA-N
MW193.33 g/mol
LogP4.01
Rot. Bonds6

About (3E,5Z)-N-but-1-en-2-yl-7-methylocta-3,5-dien-3-amine

(3E,5Z)-N-but-1-en-2-yl-7-methylocta-3,5-dien-3-amine (PubChem CID 142114381) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (3E,5Z)-N-but-1-en-2-yl-7-methylocta-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-N-but-1-en-2-yl-7-methylocta-3,5-dien-3-amine
PubChem CID142114381
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(3E,5Z)-N-but-1-en-2-yl-7-methylocta-3,5-dien-3-amine
SMILESC=C(CC)N/C(=C/C=C\C(C)C)CC
InChIInChI=1S/C13H23N/c1-6-12(5)14-13(7-2)10-8-9-11(3)4/h8-11,14H,5-7H2,1-4H3/b9-8-,13-10+
InChIKeyCYQVBFNSHQPZRI-JQHRQWORSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
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-but-1-en-2-yl-7-methylocta-3,5-dien-3-amine?
The IUPAC name of (3E,5Z)-N-but-1-en-2-yl-7-methylocta-3,5-dien-3-amine (CID 142114381) is (3E,5Z)-N-but-1-en-2-yl-7-methylocta-3,5-dien-3-amine.
What is the SMILES notation for (3E,5Z)-N-but-1-en-2-yl-7-methylocta-3,5-dien-3-amine?
The canonical SMILES for (3E,5Z)-N-but-1-en-2-yl-7-methylocta-3,5-dien-3-amine is C=C(CC)N/C(=C/C=C\C(C)C)CC.
What is the InChIKey of (3E,5Z)-N-but-1-en-2-yl-7-methylocta-3,5-dien-3-amine?
The InChIKey is CYQVBFNSHQPZRI-JQHRQWORSA-N. The full InChI is InChI=1S/C13H23N/c1-6-12(5)14-13(7-2)10-8-9-11(3)4/h8-11,14H,5-7H2,1-4H3/b9-8-,13-10+.
What are the key properties of (3E,5Z)-N-but-1-en-2-yl-7-methylocta-3,5-dien-3-amine?
(3E,5Z)-N-but-1-en-2-yl-7-methylocta-3,5-dien-3-amine has a molecular weight of 193.33 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-but-1-en-2-yl-7-methylocta-3,5-dien-3-amine is sourced from PubChem (CID 142114381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).