2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol

C11H24N2O2 — CID 107864835

IUPAC2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NC1CCCC(N)C1
InChIInChI=1S/C11H24N2O2/c1-2-11(7-14,8-15)13-10-5-3-4-9(12)6-10/h9-10,13-15H,2-8,12H2,1H3
InChIKeyFIKZFMSWOHXUTP-UHFFFAOYSA-N
MW216.32 g/mol
LogP-0.02
Rot. Bonds5

About 2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol

2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol (PubChem CID 107864835) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol
PubChem CID107864835
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NC1CCCC(N)C1
InChIInChI=1S/C11H24N2O2/c1-2-11(7-14,8-15)13-10-5-3-4-9(12)6-10/h9-10,13-15H,2-8,12H2,1H3
InChIKeyFIKZFMSWOHXUTP-UHFFFAOYSA-N
XLogP-0.02
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol
CID 115924310
2-(cyclopentylamino)-2-ethylpropane-1,3-diol
CID 115924300
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide
CID 63045589
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol
CID 103935645
2-[(4-tert-butylcycloheptyl)amino]-2-ethylpropane-1,3-diol
CID 103933708
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
1-N-propylcyclohexane-1,3-diamine
CID 22026573
2-[(3-aminocyclohexyl)amino]ethanol
CID 79459217
2-[(1,1-dioxothian-4-yl)amino]-2-ethylbutan-1-ol
CID 62519087
3-[(3-aminocyclohexyl)amino]-2,2-dimethylpropanamide
CID 106274757
2-[(3-aminocyclohexyl)amino]-4-methylpentan-1-ol
CID 79459156

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol (CID 107864835) is 2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)NC1CCCC(N)C1.
What is the InChIKey of 2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol?
The InChIKey is FIKZFMSWOHXUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-2-11(7-14,8-15)13-10-5-3-4-9(12)6-10/h9-10,13-15H,2-8,12H2,1H3.
What are the key properties of 2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol?
2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol has a molecular weight of 216.32 g/mol, XLogP of -0.02, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107864835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).