2-(cyclopropylamino)-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-ol

C16H33N3O — CID 81468852

IUPAC2-(cyclopropylamino)-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-ol
SMILESCC1CN(C(C)CC(C)(CO)NC2CC2)CC1N(C)C
InChIInChI=1S/C16H33N3O/c1-12-9-19(10-15(12)18(4)5)13(2)8-16(3,11-20)17-14-6-7-14/h12-15,17,20H,6-11H2,1-5H3
InChIKeyDBFBZFJWQRQBQT-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.15
Rot. Bonds7

About 2-(cyclopropylamino)-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-ol

2-(cyclopropylamino)-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-ol (PubChem CID 81468852) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-ol
PubChem CID81468852
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-(cyclopropylamino)-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-ol
SMILESCC1CN(C(C)CC(C)(CO)NC2CC2)CC1N(C)C
InChIInChI=1S/C16H33N3O/c1-12-9-19(10-15(12)18(4)5)13(2)8-16(3,11-20)17-14-6-7-14/h12-15,17,20H,6-11H2,1-5H3
InChIKeyDBFBZFJWQRQBQT-UHFFFAOYSA-N
XLogP1.15
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-ol (CID 81468852) is 2-(cyclopropylamino)-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-ol is CC1CN(C(C)CC(C)(CO)NC2CC2)CC1N(C)C.
What is the InChIKey of 2-(cyclopropylamino)-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-ol?
The InChIKey is DBFBZFJWQRQBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-12-9-19(10-15(12)18(4)5)13(2)8-16(3,11-20)17-14-6-7-14/h12-15,17,20H,6-11H2,1-5H3.
What are the key properties of 2-(cyclopropylamino)-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-ol?
2-(cyclopropylamino)-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-ol is sourced from PubChem (CID 81468852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).