1-(diaminomethyl)pyrrolidin-2-ol

C5H13N3O — CID 45087464

IUPAC1-(diaminomethyl)pyrrolidin-2-ol
SMILESNC(N)N1CCCC1O
InChIInChI=1S/C5H13N3O/c6-5(7)8-3-1-2-4(8)9/h4-5,9H,1-3,6-7H2
InChIKeyCRNZZAPPFIAWLE-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.40
Rot. Bonds1

About 1-(diaminomethyl)pyrrolidin-2-ol

1-(diaminomethyl)pyrrolidin-2-ol (PubChem CID 45087464) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-(diaminomethyl)pyrrolidin-2-ol.

Molecular Properties

Compound Name1-(diaminomethyl)pyrrolidin-2-ol
PubChem CID45087464
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name1-(diaminomethyl)pyrrolidin-2-ol
SMILESNC(N)N1CCCC1O
InChIInChI=1S/C5H13N3O/c6-5(7)8-3-1-2-4(8)9/h4-5,9H,1-3,6-7H2
InChIKeyCRNZZAPPFIAWLE-UHFFFAOYSA-N
XLogP-1.40
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethyl)pyrrolidin-2-ol?
The IUPAC name of 1-(diaminomethyl)pyrrolidin-2-ol (CID 45087464) is 1-(diaminomethyl)pyrrolidin-2-ol.
What is the SMILES notation for 1-(diaminomethyl)pyrrolidin-2-ol?
The canonical SMILES for 1-(diaminomethyl)pyrrolidin-2-ol is NC(N)N1CCCC1O.
What is the InChIKey of 1-(diaminomethyl)pyrrolidin-2-ol?
The InChIKey is CRNZZAPPFIAWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c6-5(7)8-3-1-2-4(8)9/h4-5,9H,1-3,6-7H2.
What are the key properties of 1-(diaminomethyl)pyrrolidin-2-ol?
1-(diaminomethyl)pyrrolidin-2-ol has a molecular weight of 131.18 g/mol, XLogP of -1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethyl)pyrrolidin-2-ol is sourced from PubChem (CID 45087464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).