1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol

C14H28N2O — CID 81396165

IUPAC1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESC[C@@H](NCC(O)CN1CCCC1)C1CCCC1
InChIInChI=1S/C14H28N2O/c1-12(13-6-2-3-7-13)15-10-14(17)11-16-8-4-5-9-16/h12-15,17H,2-11H2,1H3/t12-,14?/m1/s1
InChIKeyBLAHJVFHMQXHFO-PUODRLBUSA-N
MW240.39 g/mol
LogP1.61
Rot. Bonds6

About 1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol

1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 81396165) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID81396165
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESC[C@@H](NCC(O)CN1CCCC1)C1CCCC1
InChIInChI=1S/C14H28N2O/c1-12(13-6-2-3-7-13)15-10-14(17)11-16-8-4-5-9-16/h12-15,17H,2-11H2,1H3/t12-,14?/m1/s1
InChIKeyBLAHJVFHMQXHFO-PUODRLBUSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol with MolForge

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Related Compounds

3-(1-cyclopentylethylamino)propane-1,2-diol
CID 66177375
1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 61499979
1-cyclopentyl-3-(1-cyclopentylethylamino)propan-2-ol
CID 103157832
(2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol
CID 94524291
1-(1-cyclopentylethylamino)pentan-2-ol
CID 115719405
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993042
1-(azepan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165749
1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165880
N-(1-cyclopentylethyl)-2-piperidin-1-ylpropan-1-amine
CID 62632654
1-[[(1R)-1-cyclohexylethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81385135
1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol
CID 81393172
N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine
CID 61241929

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol (CID 81396165) is 1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol is C[C@@H](NCC(O)CN1CCCC1)C1CCCC1.
What is the InChIKey of 1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is BLAHJVFHMQXHFO-PUODRLBUSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(13-6-2-3-7-13)15-10-14(17)11-16-8-4-5-9-16/h12-15,17H,2-11H2,1H3/t12-,14?/m1/s1.
What are the key properties of 1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol?
1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 240.39 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 81396165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).