3-[2-(aminomethyl)aziridin-1-yl]propan-1-ol

C6H14N2O — CID 13177210

IUPAC3-[2-(aminomethyl)aziridin-1-yl]propan-1-ol
SMILESNCC1CN1CCCO
InChIInChI=1S/C6H14N2O/c7-4-6-5-8(6)2-1-3-9/h6,9H,1-5,7H2
InChIKeyPFYCTCVDWMTUGB-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.99
Rot. Bonds4

About 3-[2-(aminomethyl)aziridin-1-yl]propan-1-ol

3-[2-(aminomethyl)aziridin-1-yl]propan-1-ol (PubChem CID 13177210) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-[2-(aminomethyl)aziridin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(aminomethyl)aziridin-1-yl]propan-1-ol
PubChem CID13177210
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name3-[2-(aminomethyl)aziridin-1-yl]propan-1-ol
SMILESNCC1CN1CCCO
InChIInChI=1S/C6H14N2O/c7-4-6-5-8(6)2-1-3-9/h6,9H,1-5,7H2
InChIKeyPFYCTCVDWMTUGB-UHFFFAOYSA-N
XLogP-0.99
TPSA49.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-[2-(aminomethyl)azepan-1-yl]butan-1-ol
CID 116640497
tert-butyl 3-(aminomethyl)-4-(6-hydroxyhexyl)piperazine-1-carboxylate
CID 107703016
3-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol
CID 134820979
3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol
CID 60692406
(1-dodecylaziridin-2-yl)methanol
CID 87744504
(4-methyl-1-pentylpiperazin-2-yl)methanamine
CID 80504437
3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67281651
1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol
CID 115758768
4-(aminomethyl)-1-(3-hydroxypropyl)piperidin-3-ol
CID 76695388
5-[2-(aminomethyl)-5-methylmorpholin-4-yl]pentan-1-ol
CID 81217514
3-(2-methylazetidin-1-yl)propan-1-ol
CID 104549007
3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
CID 21144774

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)aziridin-1-yl]propan-1-ol?
The IUPAC name of 3-[2-(aminomethyl)aziridin-1-yl]propan-1-ol (CID 13177210) is 3-[2-(aminomethyl)aziridin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(aminomethyl)aziridin-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-(aminomethyl)aziridin-1-yl]propan-1-ol is NCC1CN1CCCO.
What is the InChIKey of 3-[2-(aminomethyl)aziridin-1-yl]propan-1-ol?
The InChIKey is PFYCTCVDWMTUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c7-4-6-5-8(6)2-1-3-9/h6,9H,1-5,7H2.
What are the key properties of 3-[2-(aminomethyl)aziridin-1-yl]propan-1-ol?
3-[2-(aminomethyl)aziridin-1-yl]propan-1-ol has a molecular weight of 130.19 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)aziridin-1-yl]propan-1-ol is sourced from PubChem (CID 13177210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).