2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol

C16H33N3O — CID 79317831

IUPAC2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol
SMILESCC(CC(C)(CO)NC1CC1)N(C)CC1CCCN1C
InChIInChI=1S/C16H33N3O/c1-13(10-16(2,12-20)17-14-7-8-14)19(4)11-15-6-5-9-18(15)3/h13-15,17,20H,5-12H2,1-4H3
InChIKeyLOARVGBCLIARJG-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.29
Rot. Bonds8

About 2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol

2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol (PubChem CID 79317831) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol
PubChem CID79317831
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol
SMILESCC(CC(C)(CO)NC1CC1)N(C)CC1CCCN1C
InChIInChI=1S/C16H33N3O/c1-13(10-16(2,12-20)17-14-7-8-14)19(4)11-15-6-5-9-18(15)3/h13-15,17,20H,5-12H2,1-4H3
InChIKeyLOARVGBCLIARJG-UHFFFAOYSA-N
XLogP1.29
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile
CID 79314860
2-(cyclopropylamino)-2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol
CID 64798033
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol
CID 79317268
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
CID 79312780
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine
CID 79313498
2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentan-1-ol
CID 64790464
3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide
CID 79317659
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine
CID 79312802
2-(cyclopropylamino)-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentan-1-ol
CID 64826988
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpentane-1,4-diamine
CID 79313502
3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79314030
3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol
CID 114357451

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol (CID 79317831) is 2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol is CC(CC(C)(CO)NC1CC1)N(C)CC1CCCN1C.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol?
The InChIKey is LOARVGBCLIARJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-13(10-16(2,12-20)17-14-7-8-14)19(4)11-15-6-5-9-18(15)3/h13-15,17,20H,5-12H2,1-4H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol?
2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol is sourced from PubChem (CID 79317831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).