3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol

C16H34N2O — CID 62479393

IUPAC3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol
SMILESCCC(C)(CNC(C)C)CN1CCCC1CCCO
InChIInChI=1S/C16H34N2O/c1-5-16(4,12-17-14(2)3)13-18-10-6-8-15(18)9-7-11-19/h14-15,17,19H,5-13H2,1-4H3
InChIKeyZUVUWXGTMHFXRH-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.64
Rot. Bonds9

About 3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62479393) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62479393
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol
SMILESCCC(C)(CNC(C)C)CN1CCCC1CCCO
InChIInChI=1S/C16H34N2O/c1-5-16(4,12-17-14(2)3)13-18-10-6-8-15(18)9-7-11-19/h14-15,17,19H,5-13H2,1-4H3
InChIKeyZUVUWXGTMHFXRH-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol
CID 62261558
3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol
CID 55076512
2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol
CID 62479744
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal
CID 62478854
2-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 79945731
2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol
CID 62262685
(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 106932811
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 62468156
2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62270790
3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
CID 83161632
N-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62468848

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol (CID 62479393) is 3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol is CCC(C)(CNC(C)C)CN1CCCC1CCCO.
What is the InChIKey of 3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is ZUVUWXGTMHFXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-16(4,12-17-14(2)3)13-18-10-6-8-15(18)9-7-11-19/h14-15,17,19H,5-13H2,1-4H3.
What are the key properties of 3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62479393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).