1-(2,5-diamino-2,5-dimethylhexan-3-yl)pyrrolidin-2-ol

C12H27N3O — CID 123540564

IUPAC1-(2,5-diamino-2,5-dimethylhexan-3-yl)pyrrolidin-2-ol
SMILESCC(C)(N)CC(N1CCCC1O)C(C)(C)N
InChIInChI=1S/C12H27N3O/c1-11(2,13)8-9(12(3,4)14)15-7-5-6-10(15)16/h9-10,16H,5-8,13-14H2,1-4H3
InChIKeyQSVCRLIUKHCBRV-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.63
Rot. Bonds4

About 1-(2,5-diamino-2,5-dimethylhexan-3-yl)pyrrolidin-2-ol

1-(2,5-diamino-2,5-dimethylhexan-3-yl)pyrrolidin-2-ol (PubChem CID 123540564) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(2,5-diamino-2,5-dimethylhexan-3-yl)pyrrolidin-2-ol.

Molecular Properties

Compound Name1-(2,5-diamino-2,5-dimethylhexan-3-yl)pyrrolidin-2-ol
PubChem CID123540564
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name1-(2,5-diamino-2,5-dimethylhexan-3-yl)pyrrolidin-2-ol
SMILESCC(C)(N)CC(N1CCCC1O)C(C)(C)N
InChIInChI=1S/C12H27N3O/c1-11(2,13)8-9(12(3,4)14)15-7-5-6-10(15)16/h9-10,16H,5-8,13-14H2,1-4H3
InChIKeyQSVCRLIUKHCBRV-UHFFFAOYSA-N
XLogP0.63
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-Methyl-1-(methylamino)pentan-2-yl]pyrrolidin-2-ol
CID 19440000
2-[(1,2,2-Triethylpyrrolidin-3-yl)amino]ethanol
CID 57623258
2-[2-(3-Aminopentan-3-yl)pyrrolidin-1-yl]ethanol
CID 57922387
3-(3-Amino-1-methylpyrrolidin-3-yl)propan-1-ol
CID 58293389
3-[1-Methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol
CID 58293400
4-[(1-Ethylpyrrolidin-2-yl)methylamino]butan-1-ol
CID 58858768
(3-Amino-1-propan-2-ylpyrrolidin-3-yl)methanol
CID 61977798
[3-Amino-1-(2-methylpropyl)pyrrolidin-3-yl]methanol
CID 68182460
(4-Amino-1-pentylpyrrolidin-3-yl)methanol
CID 68776166
(4-Amino-1-propan-2-ylpyrrolidin-3-yl)methanol
CID 84072117
[(3R)-3-amino-1-propan-2-ylpyrrolidin-3-yl]methanol
CID 94058246
[(3S)-3-amino-1-propan-2-ylpyrrolidin-3-yl]methanol
CID 94058247

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diamino-2,5-dimethylhexan-3-yl)pyrrolidin-2-ol?
The IUPAC name of 1-(2,5-diamino-2,5-dimethylhexan-3-yl)pyrrolidin-2-ol (CID 123540564) is 1-(2,5-diamino-2,5-dimethylhexan-3-yl)pyrrolidin-2-ol.
What is the SMILES notation for 1-(2,5-diamino-2,5-dimethylhexan-3-yl)pyrrolidin-2-ol?
The canonical SMILES for 1-(2,5-diamino-2,5-dimethylhexan-3-yl)pyrrolidin-2-ol is CC(C)(N)CC(N1CCCC1O)C(C)(C)N.
What is the InChIKey of 1-(2,5-diamino-2,5-dimethylhexan-3-yl)pyrrolidin-2-ol?
The InChIKey is QSVCRLIUKHCBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-11(2,13)8-9(12(3,4)14)15-7-5-6-10(15)16/h9-10,16H,5-8,13-14H2,1-4H3.
What are the key properties of 1-(2,5-diamino-2,5-dimethylhexan-3-yl)pyrrolidin-2-ol?
1-(2,5-diamino-2,5-dimethylhexan-3-yl)pyrrolidin-2-ol has a molecular weight of 229.37 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diamino-2,5-dimethylhexan-3-yl)pyrrolidin-2-ol is sourced from PubChem (CID 123540564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).