2-(cyclopropylamino)-5-(2,4-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol

C16H32N2O — CID 106809879

IUPAC2-(cyclopropylamino)-5-(2,4-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol
SMILESCCC(CO)(CCCN1CC(C)CC1C)NC1CC1
InChIInChI=1S/C16H32N2O/c1-4-16(12-19,17-15-6-7-15)8-5-9-18-11-13(2)10-14(18)3/h13-15,17,19H,4-12H2,1-3H3
InChIKeyKVQJDPZTHAUQGD-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.39
Rot. Bonds8

About 2-(cyclopropylamino)-5-(2,4-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol

2-(cyclopropylamino)-5-(2,4-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol (PubChem CID 106809879) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-(2,4-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-(2,4-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol
PubChem CID106809879
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-(cyclopropylamino)-5-(2,4-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol
SMILESCCC(CO)(CCCN1CC(C)CC1C)NC1CC1
InChIInChI=1S/C16H32N2O/c1-4-16(12-19,17-15-6-7-15)8-5-9-18-11-13(2)10-14(18)3/h13-15,17,19H,4-12H2,1-3H3
InChIKeyKVQJDPZTHAUQGD-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-ethyl-5-(2-methylpiperidin-1-yl)pentan-1-ol
CID 106809062
2-(cyclopropylamino)-2-ethyl-5-(3-methylmorpholin-4-yl)pentan-1-ol
CID 106809241
5-(2,4-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808652
2-(cyclopropylamino)-2-ethyl-5-(2-propylpiperidin-1-yl)pentan-1-ol
CID 106809824
2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentan-1-ol
CID 64788184
2-(cyclopropylamino)-2-ethyl-5-(3-propan-2-ylpyrrolidin-1-yl)pentan-1-ol
CID 106809843
2-(cyclopropylamino)-2-ethyl-5-(4-propylpiperidin-1-yl)pentan-1-ol
CID 106808663
2-(cyclopropylamino)-2-ethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentan-1-ol
CID 106808951
2-(cyclopropylamino)-5-(2,2-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol
CID 106808854
2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol
CID 106809926
5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106809483
5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809028

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-(2,4-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-5-(2,4-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol (CID 106809879) is 2-(cyclopropylamino)-5-(2,4-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-5-(2,4-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-5-(2,4-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol is CCC(CO)(CCCN1CC(C)CC1C)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-5-(2,4-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol?
The InChIKey is KVQJDPZTHAUQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-16(12-19,17-15-6-7-15)8-5-9-18-11-13(2)10-14(18)3/h13-15,17,19H,4-12H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-5-(2,4-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol?
2-(cyclopropylamino)-5-(2,4-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-(2,4-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol is sourced from PubChem (CID 106809879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).