2-(cyclopropylamino)-5-(2,2-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol

C16H32N2O — CID 106808854

IUPAC2-(cyclopropylamino)-5-(2,2-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol
SMILESCCC(CO)(CCCN1CCCC1(C)C)NC1CC1
InChIInChI=1S/C16H32N2O/c1-4-16(13-19,17-14-7-8-14)10-6-12-18-11-5-9-15(18,2)3/h14,17,19H,4-13H2,1-3H3
InChIKeyDSPVWLCPWOIAFX-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.53
Rot. Bonds8

About 2-(cyclopropylamino)-5-(2,2-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol

2-(cyclopropylamino)-5-(2,2-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol (PubChem CID 106808854) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-(2,2-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-(2,2-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol
PubChem CID106808854
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-(cyclopropylamino)-5-(2,2-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol
SMILESCCC(CO)(CCCN1CCCC1(C)C)NC1CC1
InChIInChI=1S/C16H32N2O/c1-4-16(13-19,17-14-7-8-14)10-6-12-18-11-5-9-15(18,2)3/h14,17,19H,4-13H2,1-3H3
InChIKeyDSPVWLCPWOIAFX-UHFFFAOYSA-N
XLogP2.53
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Cyclopropylamino)-2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 106809335
2-(Cyclopropylamino)-2-ethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 106809366
2-(Cyclopropylamino)-2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 106809371
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol
CID 106809375
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106809377
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809378
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106809379
2-(Cyclopropylamino)-2-ethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 106809382
2-(Cyclopropylamino)-2-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]pentan-1-ol
CID 106809673
2-(Cyclopropylamino)-5-[2,2-difluoroethyl(methyl)amino]-2-ethylpentan-1-ol
CID 106809865
[1-[3-(Tert-butylamino)propyl]pyrrolidin-2-yl]methanol
CID 57957472
[(2S)-2-[2-(methylamino)ethyl]pyrrolidin-2-yl]methanol
CID 68282419

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-(2,2-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-5-(2,2-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol (CID 106808854) is 2-(cyclopropylamino)-5-(2,2-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-5-(2,2-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-5-(2,2-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol is CCC(CO)(CCCN1CCCC1(C)C)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-5-(2,2-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol?
The InChIKey is DSPVWLCPWOIAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-16(13-19,17-14-7-8-14)10-6-12-18-11-5-9-15(18,2)3/h14,17,19H,4-13H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-5-(2,2-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol?
2-(cyclopropylamino)-5-(2,2-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-(2,2-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol is sourced from PubChem (CID 106808854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).