3-(cyclopentylmethylamino)propane-1,2-diol

C9H19NO2 — CID 60900461

IUPAC3-(cyclopentylmethylamino)propane-1,2-diol
SMILESOCC(O)CNCC1CCCC1
InChIInChI=1S/C9H19NO2/c11-7-9(12)6-10-5-8-3-1-2-4-8/h8-12H,1-7H2
InChIKeyHHLRTLYGQFMQJP-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.12
Rot. Bonds5

About 3-(cyclopentylmethylamino)propane-1,2-diol

3-(cyclopentylmethylamino)propane-1,2-diol (PubChem CID 60900461) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(cyclopentylmethylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(cyclopentylmethylamino)propane-1,2-diol
PubChem CID60900461
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-(cyclopentylmethylamino)propane-1,2-diol
SMILESOCC(O)CNCC1CCCC1
InChIInChI=1S/C9H19NO2/c11-7-9(12)6-10-5-8-3-1-2-4-8/h8-12H,1-7H2
InChIKeyHHLRTLYGQFMQJP-UHFFFAOYSA-N
XLogP0.12
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cycloheptylmethylamino)propane-1,2-diol
CID 66176972
3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol
CID 106132055
3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol
CID 76912799
4-[(2,3-dihydroxypropylamino)methyl]cyclohexane-1-carboxylic acid
CID 82849273
4-(cyclohexylmethylamino)-3-hydroxybutanoic acid
CID 103237864
1-(cyclopentylmethylamino)-3-ethoxypropan-2-ol
CID 63934617
2-cyclopentyl-N-(2,3-dihydroxypropyl)acetamide
CID 66175167
(2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol
CID 54336883
2-(cyclobutylmethylamino)-1-cyclopropylethanol
CID 65458042
3-[(1-methylpiperidin-2-yl)methylamino]propane-1,2-diol
CID 66176775
3-(cyclopentylmethylamino)-2-hydroxypropanamide
CID 106171619
(2S)-3-(2-cyclopentyloxyethylamino)propane-1,2-diol
CID 63826961

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylamino)propane-1,2-diol?
The IUPAC name of 3-(cyclopentylmethylamino)propane-1,2-diol (CID 60900461) is 3-(cyclopentylmethylamino)propane-1,2-diol.
What is the SMILES notation for 3-(cyclopentylmethylamino)propane-1,2-diol?
The canonical SMILES for 3-(cyclopentylmethylamino)propane-1,2-diol is OCC(O)CNCC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethylamino)propane-1,2-diol?
The InChIKey is HHLRTLYGQFMQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c11-7-9(12)6-10-5-8-3-1-2-4-8/h8-12H,1-7H2.
What are the key properties of 3-(cyclopentylmethylamino)propane-1,2-diol?
3-(cyclopentylmethylamino)propane-1,2-diol has a molecular weight of 173.26 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylamino)propane-1,2-diol is sourced from PubChem (CID 60900461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).