3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol

C17H20N2O2 — CID 170829191

IUPAC3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol
SMILESCCn1c2ccccc2c2cc(C(O)C(O)CN)ccc21
InChIInChI=1S/C17H20N2O2/c1-2-19-14-6-4-3-5-12(14)13-9-11(7-8-15(13)19)17(21)16(20)10-18/h3-9,16-17,20-21H,2,10,18H2,1H3
InChIKeyUNPWRKAHQWCWIP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.17
Rot. Bonds4

About 3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol

3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol (PubChem CID 170829191) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol
PubChem CID170829191
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol
SMILESCCn1c2ccccc2c2cc(C(O)C(O)CN)ccc21
InChIInChI=1S/C17H20N2O2/c1-2-19-14-6-4-3-5-12(14)13-9-11(7-8-15(13)19)17(21)16(20)10-18/h3-9,16-17,20-21H,2,10,18H2,1H3
InChIKeyUNPWRKAHQWCWIP-UHFFFAOYSA-N
XLogP2.17
TPSA71.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(9-ethylcarbazol-3-yl)propane-1,2,3-triol
CID 170819012
2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid
CID 117426376
(1R)-1-(9-ethylcarbazol-3-yl)-2-fluoroethanamine;hydrochloride
CID 171232651
(R)-cyclopropyl-(9-ethylcarbazol-3-yl)methanamine
CID 171213067
(1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine
CID 171232656
3-butan-2-yl-9-ethylcarbazole
CID 23520664
(1R)-1-(9-ethylcarbazol-3-yl)pentane-1,5-diamine
CID 171213041
(1S,2R)-2-amino-1-cyclopropyl-2-(9-ethylcarbazol-3-yl)ethanol;hydrochloride
CID 171264882
(R)-cyclopentyl-(9-ethylcarbazol-3-yl)methanamine
CID 171213069
(1S,2R)-2-amino-1-cyclopentyl-2-(9-ethylcarbazol-3-yl)ethanol
CID 171264885
9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole
CID 14093933
(3S)-3-amino-3-(9-ethylcarbazol-3-yl)propanenitrile
CID 171260153

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol (CID 170829191) is 3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol is CCn1c2ccccc2c2cc(C(O)C(O)CN)ccc21.
What is the InChIKey of 3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol?
The InChIKey is UNPWRKAHQWCWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-19-14-6-4-3-5-12(14)13-9-11(7-8-15(13)19)17(21)16(20)10-18/h3-9,16-17,20-21H,2,10,18H2,1H3.
What are the key properties of 3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol?
3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol has a molecular weight of 284.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol is sourced from PubChem (CID 170829191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).