(3Z,5Z)-N-butyl-3-ethynyl-N-methylhepta-3,5-dien-1-amine

C14H23N — CID 142257733

IUPAC(3Z,5Z)-N-butyl-3-ethynyl-N-methylhepta-3,5-dien-1-amine
SMILESC#C/C(=C\C=C/C)CCN(C)CCCC
InChIInChI=1S/C14H23N/c1-5-8-10-14(7-3)11-13-15(4)12-9-6-2/h3,5,8,10H,6,9,11-13H2,1-2,4H3/b8-5-,14-10+
InChIKeyWSIQVCOCBGOELZ-IOBBEBRSSA-N
MW205.35 g/mol
LogP3.24
Rot. Bonds7

About (3Z,5Z)-N-butyl-3-ethynyl-N-methylhepta-3,5-dien-1-amine

(3Z,5Z)-N-butyl-3-ethynyl-N-methylhepta-3,5-dien-1-amine (PubChem CID 142257733) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is (3Z,5Z)-N-butyl-3-ethynyl-N-methylhepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5Z)-N-butyl-3-ethynyl-N-methylhepta-3,5-dien-1-amine
PubChem CID142257733
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name(3Z,5Z)-N-butyl-3-ethynyl-N-methylhepta-3,5-dien-1-amine
SMILESC#C/C(=C\C=C/C)CCN(C)CCCC
InChIInChI=1S/C14H23N/c1-5-8-10-14(7-3)11-13-15(4)12-9-6-2/h3,5,8,10H,6,9,11-13H2,1-2,4H3/b8-5-,14-10+
InChIKeyWSIQVCOCBGOELZ-IOBBEBRSSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-butyl-3-ethynyl-N-methylhepta-3,5-dien-1-amine?
The IUPAC name of (3Z,5Z)-N-butyl-3-ethynyl-N-methylhepta-3,5-dien-1-amine (CID 142257733) is (3Z,5Z)-N-butyl-3-ethynyl-N-methylhepta-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5Z)-N-butyl-3-ethynyl-N-methylhepta-3,5-dien-1-amine?
The canonical SMILES for (3Z,5Z)-N-butyl-3-ethynyl-N-methylhepta-3,5-dien-1-amine is C#C/C(=C\C=C/C)CCN(C)CCCC.
What is the InChIKey of (3Z,5Z)-N-butyl-3-ethynyl-N-methylhepta-3,5-dien-1-amine?
The InChIKey is WSIQVCOCBGOELZ-IOBBEBRSSA-N. The full InChI is InChI=1S/C14H23N/c1-5-8-10-14(7-3)11-13-15(4)12-9-6-2/h3,5,8,10H,6,9,11-13H2,1-2,4H3/b8-5-,14-10+.
What are the key properties of (3Z,5Z)-N-butyl-3-ethynyl-N-methylhepta-3,5-dien-1-amine?
(3Z,5Z)-N-butyl-3-ethynyl-N-methylhepta-3,5-dien-1-amine has a molecular weight of 205.35 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-butyl-3-ethynyl-N-methylhepta-3,5-dien-1-amine is sourced from PubChem (CID 142257733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).