1,3-diamino-1-pyrrolidin-1-ylpropan-2-ol

C7H17N3O — CID 66701816

IUPAC1,3-diamino-1-pyrrolidin-1-ylpropan-2-ol
SMILESNCC(O)C(N)N1CCCC1
InChIInChI=1S/C7H17N3O/c8-5-6(11)7(9)10-3-1-2-4-10/h6-7,11H,1-5,8-9H2
InChIKeyYKWMGUNTGRDKES-UHFFFAOYSA-N
MW159.23 g/mol
LogP-1.31
Rot. Bonds3

About 1,3-diamino-1-pyrrolidin-1-ylpropan-2-ol

1,3-diamino-1-pyrrolidin-1-ylpropan-2-ol (PubChem CID 66701816) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 1,3-diamino-1-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1,3-diamino-1-pyrrolidin-1-ylpropan-2-ol
PubChem CID66701816
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name1,3-diamino-1-pyrrolidin-1-ylpropan-2-ol
SMILESNCC(O)C(N)N1CCCC1
InChIInChI=1S/C7H17N3O/c8-5-6(11)7(9)10-3-1-2-4-10/h6-7,11H,1-5,8-9H2
InChIKeyYKWMGUNTGRDKES-UHFFFAOYSA-N
XLogP-1.31
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-pyrrolidin-1-ylethanol
CID 70023810
amino(pyrrolidin-1-yl)methanol
CID 57207139
3-amino-2-(azocan-1-yl)propan-1-ol
CID 104710806
amino(piperidin-1-yl)methanol
CID 91080151
3-amino-1-pyrrolidin-1-ylpropan-1-ol
CID 21283822
2-methyl-1-piperidin-1-ylbutan-1-amine
CID 54574493
(2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 51624584
(2S,3R)-3-pyrrolidin-1-ylbutan-2-ol
CID 59057792
(1S)-1-pyrrolidin-1-ylethane-1,2-diol
CID 143982374
1-amino-3-(azonan-1-yl)propan-2-ol
CID 127001298
(2S)-1-amino-3-(azonan-1-yl)propan-2-ol
CID 131048167
2-cyclopentyl-2-pyrrolidin-1-ylethanamine
CID 62071576

Frequently Asked Questions

What is the IUPAC name of 1,3-diamino-1-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1,3-diamino-1-pyrrolidin-1-ylpropan-2-ol (CID 66701816) is 1,3-diamino-1-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1,3-diamino-1-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1,3-diamino-1-pyrrolidin-1-ylpropan-2-ol is NCC(O)C(N)N1CCCC1.
What is the InChIKey of 1,3-diamino-1-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is YKWMGUNTGRDKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c8-5-6(11)7(9)10-3-1-2-4-10/h6-7,11H,1-5,8-9H2.
What are the key properties of 1,3-diamino-1-pyrrolidin-1-ylpropan-2-ol?
1,3-diamino-1-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 159.23 g/mol, XLogP of -1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diamino-1-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 66701816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).