3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol

C14H29N3O — CID 114357229

IUPAC3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol
SMILESCC(C)C(N)C(CO)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H29N3O/c1-11(2)14(15)13(10-18)17-8-5-12(9-17)16-6-3-4-7-16/h11-14,18H,3-10,15H2,1-2H3
InChIKeyIYNLHNXFVGATSJ-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.50
Rot. Bonds5

About 3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol

3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol (PubChem CID 114357229) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol
PubChem CID114357229
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol
SMILESCC(C)C(N)C(CO)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H29N3O/c1-11(2)14(15)13(10-18)17-8-5-12(9-17)16-6-3-4-7-16/h11-14,18H,3-10,15H2,1-2H3
InChIKeyIYNLHNXFVGATSJ-UHFFFAOYSA-N
XLogP0.50
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(3,4-dimethylpiperidin-1-yl)-4-methylpentan-1-ol
CID 114357635
3-amino-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-ol
CID 113459495
3-amino-2-[3-(diethylamino)pyrrolidin-1-yl]-4-methylpentan-1-ol
CID 114357224
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 64707229
3-amino-4,4-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol
CID 114357241
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
3-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-ol
CID 63171314
4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 63171716
N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine
CID 63167031
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224
N'-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide
CID 76986945
3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
CID 114356774

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol?
The IUPAC name of 3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol (CID 114357229) is 3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol.
What is the SMILES notation for 3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol?
The canonical SMILES for 3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol is CC(C)C(N)C(CO)N1CCC(N2CCCC2)C1.
What is the InChIKey of 3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol?
The InChIKey is IYNLHNXFVGATSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)14(15)13(10-18)17-8-5-12(9-17)16-6-3-4-7-16/h11-14,18H,3-10,15H2,1-2H3.
What are the key properties of 3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol?
3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol has a molecular weight of 255.41 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol is sourced from PubChem (CID 114357229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).