(Z)-9-[bis(2-hydroxyethyl)amino]-6-methylnon-5-en-2-ol

C14H29NO3 — CID 58490290

IUPAC(Z)-9-[bis(2-hydroxyethyl)amino]-6-methylnon-5-en-2-ol
SMILESC/C(=C/CCC(C)O)CCCN(CCO)CCO
InChIInChI=1S/C14H29NO3/c1-13(5-3-7-14(2)18)6-4-8-15(9-11-16)10-12-17/h5,14,16-18H,3-4,6-12H2,1-2H3/b13-5-
InChIKeyURPKTEZLPVOVPD-ACAGNQJTSA-N
MW259.39 g/mol
LogP1.16
Rot. Bonds11

About (Z)-9-[bis(2-hydroxyethyl)amino]-6-methylnon-5-en-2-ol

(Z)-9-[bis(2-hydroxyethyl)amino]-6-methylnon-5-en-2-ol (PubChem CID 58490290) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is (Z)-9-[bis(2-hydroxyethyl)amino]-6-methylnon-5-en-2-ol.

Molecular Properties

Compound Name(Z)-9-[bis(2-hydroxyethyl)amino]-6-methylnon-5-en-2-ol
PubChem CID58490290
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name(Z)-9-[bis(2-hydroxyethyl)amino]-6-methylnon-5-en-2-ol
SMILESC/C(=C/CCC(C)O)CCCN(CCO)CCO
InChIInChI=1S/C14H29NO3/c1-13(5-3-7-14(2)18)6-4-8-15(9-11-16)10-12-17/h5,14,16-18H,3-4,6-12H2,1-2H3/b13-5-
InChIKeyURPKTEZLPVOVPD-ACAGNQJTSA-N
XLogP1.16
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-9-[bis(2-hydroxyethyl)amino]-6-methylnon-5-en-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-9-[bis(2-hydroxyethyl)amino]-6-methylnon-5-en-2-ol?
The IUPAC name of (Z)-9-[bis(2-hydroxyethyl)amino]-6-methylnon-5-en-2-ol (CID 58490290) is (Z)-9-[bis(2-hydroxyethyl)amino]-6-methylnon-5-en-2-ol.
What is the SMILES notation for (Z)-9-[bis(2-hydroxyethyl)amino]-6-methylnon-5-en-2-ol?
The canonical SMILES for (Z)-9-[bis(2-hydroxyethyl)amino]-6-methylnon-5-en-2-ol is C/C(=C/CCC(C)O)CCCN(CCO)CCO.
What is the InChIKey of (Z)-9-[bis(2-hydroxyethyl)amino]-6-methylnon-5-en-2-ol?
The InChIKey is URPKTEZLPVOVPD-ACAGNQJTSA-N. The full InChI is InChI=1S/C14H29NO3/c1-13(5-3-7-14(2)18)6-4-8-15(9-11-16)10-12-17/h5,14,16-18H,3-4,6-12H2,1-2H3/b13-5-.
What are the key properties of (Z)-9-[bis(2-hydroxyethyl)amino]-6-methylnon-5-en-2-ol?
(Z)-9-[bis(2-hydroxyethyl)amino]-6-methylnon-5-en-2-ol has a molecular weight of 259.39 g/mol, XLogP of 1.16, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-[bis(2-hydroxyethyl)amino]-6-methylnon-5-en-2-ol is sourced from PubChem (CID 58490290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).