2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol

C15H29NO2 — CID 103935645

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NC1CCC2CCCCC2C1
InChIInChI=1S/C15H29NO2/c1-2-15(10-17,11-18)16-14-8-7-12-5-3-4-6-13(12)9-14/h12-14,16-18H,2-11H2,1H3
InChIKeyYFLBFOLXOGKWIE-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.07
Rot. Bonds5

About 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol

2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol (PubChem CID 103935645) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol
PubChem CID103935645
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NC1CCC2CCCCC2C1
InChIInChI=1S/C15H29NO2/c1-2-15(10-17,11-18)16-14-8-7-12-5-3-4-6-13(12)9-14/h12-14,16-18H,2-11H2,1H3
InChIKeyYFLBFOLXOGKWIE-UHFFFAOYSA-N
XLogP2.07
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol 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

2-(cyclopentylamino)-2-ethylpropane-1,3-diol
CID 115924300
2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol
CID 115924310
2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol
CID 107864835
(2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 167179387
2-ethyl-2-(thian-4-ylamino)propane-1,3-diol
CID 115924302
2-ethyl-2-[(1-methylpiperidin-4-yl)amino]propane-1,3-diol
CID 115927628
2-[(4-tert-butylcycloheptyl)amino]-2-ethylpropane-1,3-diol
CID 103933708
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-methylpropan-2-ol
CID 63239236
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)hydroxylamine
CID 82684932
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-1-ol
CID 115723043
2-(2-adamantylamino)-2-ethylpropane-1,3-diol
CID 103935710
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propane-1,3-diol
CID 65315355

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol (CID 103935645) is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol is CCC(CO)(CO)NC1CCC2CCCCC2C1.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol?
The InChIKey is YFLBFOLXOGKWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-15(10-17,11-18)16-14-8-7-12-5-3-4-6-13(12)9-14/h12-14,16-18H,2-11H2,1H3.
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol?
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol has a molecular weight of 255.40 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol is sourced from PubChem (CID 103935645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).