(3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol

C9H20N2O — CID 94895891

IUPAC(3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol
SMILESCC(C)NCCN1CC[C@@H](O)C1
InChIInChI=1S/C9H20N2O/c1-8(2)10-4-6-11-5-3-9(12)7-11/h8-10,12H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyJAOKVVXTDRKKHU-SECBINFHSA-N
MW172.27 g/mol
LogP0.05
Rot. Bonds4

About (3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol

(3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol (PubChem CID 94895891) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol
PubChem CID94895891
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol
SMILESCC(C)NCCN1CC[C@@H](O)C1
InChIInChI=1S/C9H20N2O/c1-8(2)10-4-6-11-5-3-9(12)7-11/h8-10,12H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyJAOKVVXTDRKKHU-SECBINFHSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine
CID 83963163
N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine
CID 63622599
2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid
CID 66611497
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine
CID 63609661
N-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine
CID 83963211
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
(3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol
CID 34177188
(3R)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
CID 82892648
1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-ol
CID 131963195
1-(2-aminoethyl)pyrrolidin-3-ol;ethane
CID 145171245
1-(2-hydrazinylethyl)piperidin-3-ol
CID 130124439
1-(2-ethylsulfonylethyl)pyrrolidin-3-ol
CID 62916486

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol (CID 94895891) is (3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol is CC(C)NCCN1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol?
The InChIKey is JAOKVVXTDRKKHU-SECBINFHSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)10-4-6-11-5-3-9(12)7-11/h8-10,12H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol?
(3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol has a molecular weight of 172.27 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 94895891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).