6-[(Z,5Z)-5-ethylideneoct-6-enoxy]hexan-1-amine

C16H31NO — CID 145375824

IUPAC6-[(Z,5Z)-5-ethylideneoct-6-enoxy]hexan-1-amine
SMILESC/C=C\C(=C/C)CCCCOCCCCCCN
InChIInChI=1S/C16H31NO/c1-3-11-16(4-2)12-7-10-15-18-14-9-6-5-8-13-17/h3-4,11H,5-10,12-15,17H2,1-2H3/b11-3-,16-4+
InChIKeyBMADTNSEEBFGNM-GHEYHJKZSA-N
MW253.43 g/mol
LogP4.21
Rot. Bonds12

About 6-[(Z,5Z)-5-ethylideneoct-6-enoxy]hexan-1-amine

6-[(Z,5Z)-5-ethylideneoct-6-enoxy]hexan-1-amine (PubChem CID 145375824) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 6-[(Z,5Z)-5-ethylideneoct-6-enoxy]hexan-1-amine.

Molecular Properties

Compound Name6-[(Z,5Z)-5-ethylideneoct-6-enoxy]hexan-1-amine
PubChem CID145375824
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name6-[(Z,5Z)-5-ethylideneoct-6-enoxy]hexan-1-amine
SMILESC/C=C\C(=C/C)CCCCOCCCCCCN
InChIInChI=1S/C16H31NO/c1-3-11-16(4-2)12-7-10-15-18-14-9-6-5-8-13-17/h3-4,11H,5-10,12-15,17H2,1-2H3/b11-3-,16-4+
InChIKeyBMADTNSEEBFGNM-GHEYHJKZSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[(Z,5Z)-5-ethylideneoct-6-enoxy]hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-Cyclohexa-1,5-dien-1-yl-2,2-difluoroethoxy)hexan-1-amine
CID 144050832
16-Ethoxyhexadec-9-en-1-amine
CID 109650
(E)-16-ethoxyhexadec-9-en-1-amine
CID 6437490
(E)-22-ethoxydocos-13-en-1-amine
CID 6450540
18-Ethoxyoctadec-9-en-1-amine
CID 57002472
(1Z,3Z)-9-methoxy-5-methylidenenona-1,3-dien-1-amine
CID 88274496
(Z)-18-ethoxyoctadec-9-en-1-amine
CID 88310496
6-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienoxy]hexan-1-amine
CID 142407880
(Z)-3-methoxy-5-[(Z)-prop-1-enyl]oct-5-en-1-amine
CID 143110187
(2Z,4Z)-4-(3-methoxypropyl)hepta-2,4,6-trien-1-amine
CID 143714331
6-(4-Cyclohexa-1,5-dien-1-ylbutoxy)hexan-1-amine
CID 144342917
6-(Cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine
CID 145311471

Frequently Asked Questions

What is the IUPAC name of 6-[(Z,5Z)-5-ethylideneoct-6-enoxy]hexan-1-amine?
The IUPAC name of 6-[(Z,5Z)-5-ethylideneoct-6-enoxy]hexan-1-amine (CID 145375824) is 6-[(Z,5Z)-5-ethylideneoct-6-enoxy]hexan-1-amine.
What is the SMILES notation for 6-[(Z,5Z)-5-ethylideneoct-6-enoxy]hexan-1-amine?
The canonical SMILES for 6-[(Z,5Z)-5-ethylideneoct-6-enoxy]hexan-1-amine is C/C=C\C(=C/C)CCCCOCCCCCCN.
What is the InChIKey of 6-[(Z,5Z)-5-ethylideneoct-6-enoxy]hexan-1-amine?
The InChIKey is BMADTNSEEBFGNM-GHEYHJKZSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-11-16(4-2)12-7-10-15-18-14-9-6-5-8-13-17/h3-4,11H,5-10,12-15,17H2,1-2H3/b11-3-,16-4+.
What are the key properties of 6-[(Z,5Z)-5-ethylideneoct-6-enoxy]hexan-1-amine?
6-[(Z,5Z)-5-ethylideneoct-6-enoxy]hexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 4.21, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z,5Z)-5-ethylideneoct-6-enoxy]hexan-1-amine is sourced from PubChem (CID 145375824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).