1-(3-tert-butylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol

C15H32N2O — CID 113417212

IUPAC1-(3-tert-butylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)CN1CCC(C(C)(C)C)C1
InChIInChI=1S/C15H32N2O/c1-12(2)16-10-15(6,18)11-17-8-7-13(9-17)14(3,4)5/h12-13,16,18H,7-11H2,1-6H3
InChIKeyOQXSWJZFBXCPAN-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.10
Rot. Bonds5

About 1-(3-tert-butylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol

1-(3-tert-butylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol (PubChem CID 113417212) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(3-tert-butylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-tert-butylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
PubChem CID113417212
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-(3-tert-butylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)CN1CCC(C(C)(C)C)C1
InChIInChI=1S/C15H32N2O/c1-12(2)16-10-15(6,18)11-17-8-7-13(9-17)14(3,4)5/h12-13,16,18H,7-11H2,1-6H3
InChIKeyOQXSWJZFBXCPAN-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-tert-butylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(3-methylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 66335003
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 113335634
5-(3-tert-butylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine
CID 113418984
1-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66335773
2-[(4-tert-butylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 63493459
1-(3-tert-butylpyrrolidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 113417353
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 102725900
1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
CID 62263335
2-(3-tert-butylpyrrolidin-1-yl)-1-cyclopentyl-N-ethylethanamine
CID 104746978
3-tert-butyl-1-[2-methyl-2-(oxetan-3-yl)propyl]pyrrolidine
CID 130402090
1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 62086138
4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol
CID 113417223

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3-tert-butylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol (CID 113417212) is 1-(3-tert-butylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3-tert-butylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3-tert-butylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(C)(O)CN1CCC(C(C)(C)C)C1.
What is the InChIKey of 1-(3-tert-butylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is OQXSWJZFBXCPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-12(2)16-10-15(6,18)11-17-8-7-13(9-17)14(3,4)5/h12-13,16,18H,7-11H2,1-6H3.
What are the key properties of 1-(3-tert-butylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
1-(3-tert-butylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 256.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 113417212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).