3-amino-2-(aminomethyl)-1-(oxolan-2-yl)propan-1-one

C8H16N2O2 — CID 57256663

IUPAC3-amino-2-(aminomethyl)-1-(oxolan-2-yl)propan-1-one
SMILESNCC(CN)C(=O)C1CCCO1
InChIInChI=1S/C8H16N2O2/c9-4-6(5-10)8(11)7-2-1-3-12-7/h6-7H,1-5,9-10H2
InChIKeyFHNIHUQNURAHCP-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.73
Rot. Bonds4

About 3-amino-2-(aminomethyl)-1-(oxolan-2-yl)propan-1-one

3-amino-2-(aminomethyl)-1-(oxolan-2-yl)propan-1-one (PubChem CID 57256663) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-amino-2-(aminomethyl)-1-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-2-(aminomethyl)-1-(oxolan-2-yl)propan-1-one
PubChem CID57256663
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-amino-2-(aminomethyl)-1-(oxolan-2-yl)propan-1-one
SMILESNCC(CN)C(=O)C1CCCO1
InChIInChI=1S/C8H16N2O2/c9-4-6(5-10)8(11)7-2-1-3-12-7/h6-7H,1-5,9-10H2
InChIKeyFHNIHUQNURAHCP-UHFFFAOYSA-N
XLogP-0.73
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-methyl-2-(oxolane-2-carbonyl)butanoate
CID 65328489
cyclopropyl(oxolan-2-yl)methanone
CID 65331065
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 43251966
azanium (2R)-oxolane-2-carboxylate
CID 141340270
oxolane-2-carboxylic acid;silver
CID 160678639
(2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid
CID 87727117
3-methyl-1-(oxolan-2-yl)butan-1-one
CID 23514782
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55202925
N-(2-aminoethyl)-N-propan-2-yloxolane-2-carboxamide
CID 61349708
hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride
CID 173287990
N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide
CID 57091313
N-(2-amino-1-phenylethyl)oxolane-2-carboxamide
CID 55242926

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(aminomethyl)-1-(oxolan-2-yl)propan-1-one?
The IUPAC name of 3-amino-2-(aminomethyl)-1-(oxolan-2-yl)propan-1-one (CID 57256663) is 3-amino-2-(aminomethyl)-1-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 3-amino-2-(aminomethyl)-1-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 3-amino-2-(aminomethyl)-1-(oxolan-2-yl)propan-1-one is NCC(CN)C(=O)C1CCCO1.
What is the InChIKey of 3-amino-2-(aminomethyl)-1-(oxolan-2-yl)propan-1-one?
The InChIKey is FHNIHUQNURAHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-4-6(5-10)8(11)7-2-1-3-12-7/h6-7H,1-5,9-10H2.
What are the key properties of 3-amino-2-(aminomethyl)-1-(oxolan-2-yl)propan-1-one?
3-amino-2-(aminomethyl)-1-(oxolan-2-yl)propan-1-one has a molecular weight of 172.23 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(aminomethyl)-1-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 57256663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).