3-(2-methylpentan-3-ylamino)propane-1,2-diol

C9H21NO2 — CID 66177145

IUPAC3-(2-methylpentan-3-ylamino)propane-1,2-diol
SMILESCCC(NCC(O)CO)C(C)C
InChIInChI=1S/C9H21NO2/c1-4-9(7(2)3)10-5-8(12)6-11/h7-12H,4-6H2,1-3H3
InChIKeyZKEITVOUKQSKAQ-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.36
Rot. Bonds6

About 3-(2-methylpentan-3-ylamino)propane-1,2-diol

3-(2-methylpentan-3-ylamino)propane-1,2-diol (PubChem CID 66177145) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-(2-methylpentan-3-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-methylpentan-3-ylamino)propane-1,2-diol
PubChem CID66177145
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-(2-methylpentan-3-ylamino)propane-1,2-diol
SMILESCCC(NCC(O)CO)C(C)C
InChIInChI=1S/C9H21NO2/c1-4-9(7(2)3)10-5-8(12)6-11/h7-12H,4-6H2,1-3H3
InChIKeyZKEITVOUKQSKAQ-UHFFFAOYSA-N
XLogP0.36
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(butan-2-ylamino)propane-1,2-diol
CID 61149708
(2S)-3-(propan-2-ylamino)propane-1,2-diol
CID 7019748
2-methyl-N-(2-methylbutyl)pentan-3-amine
CID 61468909
3-(1-hydroxypropan-2-ylamino)propane-1,2-diol
CID 76891482
2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol
CID 79250118
2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 106932287
(2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol
CID 79249235
1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 107262665
(2S)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]propane-1,2-diol
CID 104865645
1-(1-hydroxypropan-2-ylamino)butan-2-ol
CID 60885826
2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine
CID 154691714
2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 61469518

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentan-3-ylamino)propane-1,2-diol?
The IUPAC name of 3-(2-methylpentan-3-ylamino)propane-1,2-diol (CID 66177145) is 3-(2-methylpentan-3-ylamino)propane-1,2-diol.
What is the SMILES notation for 3-(2-methylpentan-3-ylamino)propane-1,2-diol?
The canonical SMILES for 3-(2-methylpentan-3-ylamino)propane-1,2-diol is CCC(NCC(O)CO)C(C)C.
What is the InChIKey of 3-(2-methylpentan-3-ylamino)propane-1,2-diol?
The InChIKey is ZKEITVOUKQSKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-4-9(7(2)3)10-5-8(12)6-11/h7-12H,4-6H2,1-3H3.
What are the key properties of 3-(2-methylpentan-3-ylamino)propane-1,2-diol?
3-(2-methylpentan-3-ylamino)propane-1,2-diol has a molecular weight of 175.27 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentan-3-ylamino)propane-1,2-diol is sourced from PubChem (CID 66177145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).