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

C9H20N2O2 — CID 54127430

IUPAC3-[2-(3-aminopropyl)-1,3-dioxolan-2-yl]propan-1-amine
SMILESNCCCC1(CCCN)OCCO1
InChIInChI=1S/C9H20N2O2/c10-5-1-3-9(4-2-6-11)12-7-8-13-9/h1-8,10-11H2
InChIKeyNRYUUJAVVRZRGN-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.21
Rot. Bonds6

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

3-[2-(3-aminopropyl)-1,3-dioxolan-2-yl]propan-1-amine (PubChem CID 54127430) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-[2-(3-aminopropyl)-1,3-dioxolan-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(3-aminopropyl)-1,3-dioxolan-2-yl]propan-1-amine
PubChem CID54127430
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-[2-(3-aminopropyl)-1,3-dioxolan-2-yl]propan-1-amine
SMILESNCCCC1(CCCN)OCCO1
InChIInChI=1S/C9H20N2O2/c10-5-1-3-9(4-2-6-11)12-7-8-13-9/h1-8,10-11H2
InChIKeyNRYUUJAVVRZRGN-UHFFFAOYSA-N
XLogP0.21
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Methyl-1,3-dioxolan-2-yl)butan-1-amine
CID 15580818
3-(2-Methyl-1,3-dioxolan-2-yl)-1-propanamine
CID 560007
4,4'-(1,3-Dioxolane-2,2-diyl)dibutan-1-amine
CID 289746
6-(2-Methyl-1,3-dioxolan-2-yl)hexan-1-amine
CID 13093872
3-(2,2-Dimethyl-1,3-dioxolan-4-yl)propan-1-amine
CID 13416686
2-(2-Propyl-1,3-dioxolan-2-yl)ethanamine
CID 14636093
Methyl[3-(2-propyl-1,3-dioxolan-2-yl)propyl]amine
CID 20598490
4-(2-Methyl-1,3-dioxolan-2-yl)butan-2-amine
CID 24774298
3-[2-(Aminomethyl)-1,3-dioxolan-2-yl]propan-1-amine
CID 57014623
7-(2-Methyl-1,3-dioxolan-2-yl)heptan-1-amine
CID 59602971
4-(2-Ethyl-1,3-dioxolan-2-yl)butan-1-amine
CID 59602998
2-[5-(Aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine
CID 69065201

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopropyl)-1,3-dioxolan-2-yl]propan-1-amine?
The IUPAC name of 3-[2-(3-aminopropyl)-1,3-dioxolan-2-yl]propan-1-amine (CID 54127430) is 3-[2-(3-aminopropyl)-1,3-dioxolan-2-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(3-aminopropyl)-1,3-dioxolan-2-yl]propan-1-amine?
The canonical SMILES for 3-[2-(3-aminopropyl)-1,3-dioxolan-2-yl]propan-1-amine is NCCCC1(CCCN)OCCO1.
What is the InChIKey of 3-[2-(3-aminopropyl)-1,3-dioxolan-2-yl]propan-1-amine?
The InChIKey is NRYUUJAVVRZRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c10-5-1-3-9(4-2-6-11)12-7-8-13-9/h1-8,10-11H2.
What are the key properties of 3-[2-(3-aminopropyl)-1,3-dioxolan-2-yl]propan-1-amine?
3-[2-(3-aminopropyl)-1,3-dioxolan-2-yl]propan-1-amine has a molecular weight of 188.27 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopropyl)-1,3-dioxolan-2-yl]propan-1-amine is sourced from PubChem (CID 54127430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).