3-[2-(ethylamino)ethyl]pyrrolidin-3-ol

C8H18N2O — CID 139771415

IUPAC3-[2-(ethylamino)ethyl]pyrrolidin-3-ol
SMILESCCNCCC1(O)CCNC1
InChIInChI=1S/C8H18N2O/c1-2-9-5-3-8(11)4-6-10-7-8/h9-11H,2-7H2,1H3
InChIKeyUMJSCOMZEOQSJY-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.29
Rot. Bonds4

About 3-[2-(ethylamino)ethyl]pyrrolidin-3-ol

3-[2-(ethylamino)ethyl]pyrrolidin-3-ol (PubChem CID 139771415) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-[2-(ethylamino)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[2-(ethylamino)ethyl]pyrrolidin-3-ol
PubChem CID139771415
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-[2-(ethylamino)ethyl]pyrrolidin-3-ol
SMILESCCNCCC1(O)CCNC1
InChIInChI=1S/C8H18N2O/c1-2-9-5-3-8(11)4-6-10-7-8/h9-11H,2-7H2,1H3
InChIKeyUMJSCOMZEOQSJY-UHFFFAOYSA-N
XLogP-0.29
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Methylpyrrolidin-3-ol
CID 14578458
3-Methylpyrrolidin-3-ol hydrochloride
CID 53346559
(3R)-3-Methylpyrrolidin-3-ol
CID 55288331
3-(Propan-2-yl)pyrrolidin-3-ol hydrochloride
CID 57497866
3-Ethylpyrrolidin-3-ol
CID 57601815
3-Tert-butylpyrrolidin-3-ol hydrochloride
CID 66662240
4-(1-Pyrrolidinylmethyl)-4-piperidinol
CID 28065054
3-((Dimethylamino)methyl)pyrrolidin-3-ol
CID 14578459
4-((Dimethylamino)methyl)piperidin-4-ol
CID 14578470
3-Tert-butylpyrrolidin-3-ol
CID 55296408
3-(Propan-2-yl)pyrrolidin-3-ol
CID 57497867
2-(3-Hydroxypyrrolidin-3-yl)acetonitrile
CID 79116855

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)ethyl]pyrrolidin-3-ol?
The IUPAC name of 3-[2-(ethylamino)ethyl]pyrrolidin-3-ol (CID 139771415) is 3-[2-(ethylamino)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[2-(ethylamino)ethyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[2-(ethylamino)ethyl]pyrrolidin-3-ol is CCNCCC1(O)CCNC1.
What is the InChIKey of 3-[2-(ethylamino)ethyl]pyrrolidin-3-ol?
The InChIKey is UMJSCOMZEOQSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-2-9-5-3-8(11)4-6-10-7-8/h9-11H,2-7H2,1H3.
What are the key properties of 3-[2-(ethylamino)ethyl]pyrrolidin-3-ol?
3-[2-(ethylamino)ethyl]pyrrolidin-3-ol has a molecular weight of 158.24 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 139771415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).