1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol

C14H29N3O — CID 64820276

IUPAC1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol
SMILESCC(O)(CN)CCCN1CCC(N2CCCC2)C1
InChIInChI=1S/C14H29N3O/c1-14(18,12-15)6-4-7-16-10-5-13(11-16)17-8-2-3-9-17/h13,18H,2-12,15H2,1H3
InChIKeyTZYWQLCYNBYCHT-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.65
Rot. Bonds6

About 1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol

1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol (PubChem CID 64820276) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol
PubChem CID64820276
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol
SMILESCC(O)(CN)CCCN1CCC(N2CCCC2)C1
InChIInChI=1S/C14H29N3O/c1-14(18,12-15)6-4-7-16-10-5-13(11-16)17-8-2-3-9-17/h13,18H,2-12,15H2,1H3
InChIKeyTZYWQLCYNBYCHT-UHFFFAOYSA-N
XLogP0.65
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-ol
CID 79171055
2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine
CID 106708095
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-amino-2-methylpentan-2-ol
CID 64818657
2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 55159526
1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol
CID 64818975
1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol
CID 64820510
2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
CID 63171282
2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol
CID 64792489
3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol
CID 106811330
5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 63169480
2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 45157083
1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818689

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol?
The IUPAC name of 1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol (CID 64820276) is 1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol?
The canonical SMILES for 1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol is CC(O)(CN)CCCN1CCC(N2CCCC2)C1.
What is the InChIKey of 1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol?
The InChIKey is TZYWQLCYNBYCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-14(18,12-15)6-4-7-16-10-5-13(11-16)17-8-2-3-9-17/h13,18H,2-12,15H2,1H3.
What are the key properties of 1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol?
1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol has a molecular weight of 255.41 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol is sourced from PubChem (CID 64820276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).