2-(hepta-1,6-dien-4-ylamino)ethanol

C9H17NO — CID 18000069

IUPAC2-(hepta-1,6-dien-4-ylamino)ethanol
SMILESC=CCC(CC=C)NCCO
InChIInChI=1S/C9H17NO/c1-3-5-9(6-4-2)10-7-8-11/h3-4,9-11H,1-2,5-8H2
InChIKeyZAYHFJWSDOOOSR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.09
Rot. Bonds7

About 2-(hepta-1,6-dien-4-ylamino)ethanol

2-(hepta-1,6-dien-4-ylamino)ethanol (PubChem CID 18000069) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(hepta-1,6-dien-4-ylamino)ethanol.

Molecular Properties

Compound Name2-(hepta-1,6-dien-4-ylamino)ethanol
PubChem CID18000069
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(hepta-1,6-dien-4-ylamino)ethanol
SMILESC=CCC(CC=C)NCCO
InChIInChI=1S/C9H17NO/c1-3-5-9(6-4-2)10-7-8-11/h3-4,9-11H,1-2,5-8H2
InChIKeyZAYHFJWSDOOOSR-UHFFFAOYSA-N
XLogP1.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(hepta-1,6-dien-4-ylamino)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

(3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835169
2-(1,1,1-Trifluorooct-7-en-2-ylamino)ethanol
CID 88266527
2-(Undec-1-en-6-ylamino)ethanol
CID 24812845
(3S,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835287
2-[[(2S)-pent-4-en-2-yl]amino]ethanol
CID 134864390
1,1,1-Trifluoro-3-(hex-5-en-2-ylamino)propan-2-ol
CID 104581912
1,1-Difluoro-3-(hex-5-en-2-ylamino)propan-2-ol
CID 104582908
3-Ethylamino-5-hexene-2-ol
CID 566897
2-(Oct-7-enylamino)ethanol
CID 10866785
2-(Hex-5-enylamino)ethanol
CID 11228861
2-(Undec-10-enylamino)ethanol
CID 11310411
Hepta-1,6-dien-4-yl(2-hydroxyethyl)azanium chloride
CID 18000068

Frequently Asked Questions

What is the IUPAC name of 2-(hepta-1,6-dien-4-ylamino)ethanol?
The IUPAC name of 2-(hepta-1,6-dien-4-ylamino)ethanol (CID 18000069) is 2-(hepta-1,6-dien-4-ylamino)ethanol.
What is the SMILES notation for 2-(hepta-1,6-dien-4-ylamino)ethanol?
The canonical SMILES for 2-(hepta-1,6-dien-4-ylamino)ethanol is C=CCC(CC=C)NCCO.
What is the InChIKey of 2-(hepta-1,6-dien-4-ylamino)ethanol?
The InChIKey is ZAYHFJWSDOOOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-9(6-4-2)10-7-8-11/h3-4,9-11H,1-2,5-8H2.
What are the key properties of 2-(hepta-1,6-dien-4-ylamino)ethanol?
2-(hepta-1,6-dien-4-ylamino)ethanol has a molecular weight of 155.24 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hepta-1,6-dien-4-ylamino)ethanol is sourced from PubChem (CID 18000069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).