3-[2-(aminomethyl)-1,3-dioxolan-2-yl]propan-1-amine

C7H16N2O2 — CID 57014623

IUPAC3-[2-(aminomethyl)-1,3-dioxolan-2-yl]propan-1-amine
SMILESNCCCC1(CN)OCCO1
InChIInChI=1S/C7H16N2O2/c8-3-1-2-7(6-9)10-4-5-11-7/h1-6,8-9H2
InChIKeyBNFJRGWVYAYINR-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.57
Rot. Bonds4

About 3-[2-(aminomethyl)-1,3-dioxolan-2-yl]propan-1-amine

3-[2-(aminomethyl)-1,3-dioxolan-2-yl]propan-1-amine (PubChem CID 57014623) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-1,3-dioxolan-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(aminomethyl)-1,3-dioxolan-2-yl]propan-1-amine
PubChem CID57014623
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name3-[2-(aminomethyl)-1,3-dioxolan-2-yl]propan-1-amine
SMILESNCCCC1(CN)OCCO1
InChIInChI=1S/C7H16N2O2/c8-3-1-2-7(6-9)10-4-5-11-7/h1-6,8-9H2
InChIKeyBNFJRGWVYAYINR-UHFFFAOYSA-N
XLogP-0.57
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Methyl-1,3-dioxolan-2-yl)-1-propanamine
CID 560007
(2s,3s)-3,4-Isopropylidene-dioxybutane-1,4-diamine
CID 129740341
[(4R,5R)-5-(aminomethyl)-2,2-diethyl-1,3-dioxolan-4-yl]methanamine
CID 9890221
(2-Propyl-1,3-dioxolan-2-yl)methanamine
CID 18183174
2-(aminomethyl)-1,3-Dioxolane-2-ethanamine
CID 44383215
[(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
CID 58158410
(5-Ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
CID 58287064
2-[5-(Aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine
CID 69065201
3-(2-Ethyl-1,3-dioxolan-2-yl)propan-1-amine
CID 85523453
5-[[4-(Aminomethyl)-2-methyl-1,3-dioxolan-2-yl]oxy]pentan-1-amine
CID 89855279
2-Methoxy-2-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanamine
CID 171557088
[(4S,5S)-5-(aminomethyl)-2,2-diethyl-1,3-dioxolan-4-yl]methanamine
CID 9981515

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-1,3-dioxolan-2-yl]propan-1-amine?
The IUPAC name of 3-[2-(aminomethyl)-1,3-dioxolan-2-yl]propan-1-amine (CID 57014623) is 3-[2-(aminomethyl)-1,3-dioxolan-2-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(aminomethyl)-1,3-dioxolan-2-yl]propan-1-amine?
The canonical SMILES for 3-[2-(aminomethyl)-1,3-dioxolan-2-yl]propan-1-amine is NCCCC1(CN)OCCO1.
What is the InChIKey of 3-[2-(aminomethyl)-1,3-dioxolan-2-yl]propan-1-amine?
The InChIKey is BNFJRGWVYAYINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c8-3-1-2-7(6-9)10-4-5-11-7/h1-6,8-9H2.
What are the key properties of 3-[2-(aminomethyl)-1,3-dioxolan-2-yl]propan-1-amine?
3-[2-(aminomethyl)-1,3-dioxolan-2-yl]propan-1-amine has a molecular weight of 160.22 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-1,3-dioxolan-2-yl]propan-1-amine is sourced from PubChem (CID 57014623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).