2-[[(Z,3Z)-3-prop-2-enylidenehept-4-enyl]amino]ethanol

C12H21NO — CID 143653650

IUPAC2-[[(Z,3Z)-3-prop-2-enylidenehept-4-enyl]amino]ethanol
SMILESC=C/C=C(\C=C/CC)CCNCCO
InChIInChI=1S/C12H21NO/c1-3-5-7-12(6-4-2)8-9-13-10-11-14/h4-7,13-14H,2-3,8-11H2,1H3/b7-5-,12-6+
InChIKeyDNDSMTPHICNBBI-NFWBANDSSA-N
MW195.31 g/mol
LogP2.04
Rot. Bonds8

About 2-[[(Z,3Z)-3-prop-2-enylidenehept-4-enyl]amino]ethanol

2-[[(Z,3Z)-3-prop-2-enylidenehept-4-enyl]amino]ethanol (PubChem CID 143653650) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[[(Z,3Z)-3-prop-2-enylidenehept-4-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(Z,3Z)-3-prop-2-enylidenehept-4-enyl]amino]ethanol
PubChem CID143653650
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-[[(Z,3Z)-3-prop-2-enylidenehept-4-enyl]amino]ethanol
SMILESC=C/C=C(\C=C/CC)CCNCCO
InChIInChI=1S/C12H21NO/c1-3-5-7-12(6-4-2)8-9-13-10-11-14/h4-7,13-14H,2-3,8-11H2,1H3/b7-5-,12-6+
InChIKeyDNDSMTPHICNBBI-NFWBANDSSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(Z,3Z)-3-prop-2-enylidenehept-4-enyl]amino]ethanol 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

(3Z,6Z,7Z)-6-ethylidene-4-[(Z)-prop-1-enyl]deca-1,3,7-triene
CID 144556498
[(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate
CID 143244884
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
3-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxypropan-1-ol
CID 142164581
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
(1Z,3Z,5Z,7Z)-N-ethyl-3-prop-2-enylidenedeca-1,5,7-trien-1-amine
CID 166724369
(3E,5E)-4-ethenylocta-1,3,5-triene
CID 142003848
(3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 134516324
(2Z,4Z)-4-(3-methoxypropyl)hepta-2,4,6-trien-1-amine
CID 143714331
ethane-1,2-diol;(3E)-hexa-1,3-diene
CID 87937572
N-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide
CID 156731692
ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene
CID 143078245

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z,3Z)-3-prop-2-enylidenehept-4-enyl]amino]ethanol?
The IUPAC name of 2-[[(Z,3Z)-3-prop-2-enylidenehept-4-enyl]amino]ethanol (CID 143653650) is 2-[[(Z,3Z)-3-prop-2-enylidenehept-4-enyl]amino]ethanol.
What is the SMILES notation for 2-[[(Z,3Z)-3-prop-2-enylidenehept-4-enyl]amino]ethanol?
The canonical SMILES for 2-[[(Z,3Z)-3-prop-2-enylidenehept-4-enyl]amino]ethanol is C=C/C=C(\C=C/CC)CCNCCO.
What is the InChIKey of 2-[[(Z,3Z)-3-prop-2-enylidenehept-4-enyl]amino]ethanol?
The InChIKey is DNDSMTPHICNBBI-NFWBANDSSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-5-7-12(6-4-2)8-9-13-10-11-14/h4-7,13-14H,2-3,8-11H2,1H3/b7-5-,12-6+.
What are the key properties of 2-[[(Z,3Z)-3-prop-2-enylidenehept-4-enyl]amino]ethanol?
2-[[(Z,3Z)-3-prop-2-enylidenehept-4-enyl]amino]ethanol has a molecular weight of 195.31 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z,3Z)-3-prop-2-enylidenehept-4-enyl]amino]ethanol is sourced from PubChem (CID 143653650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).