3-N-[3-(1,3-dioxolan-2-yl)propyl]butane-1,3-diamine

C10H22N2O2 — CID 68862220

IUPAC3-N-[3-(1,3-dioxolan-2-yl)propyl]butane-1,3-diamine
SMILESCC(CCN)NCCCC1OCCO1
InChIInChI=1S/C10H22N2O2/c1-9(4-5-11)12-6-2-3-10-13-7-8-14-10/h9-10,12H,2-8,11H2,1H3
InChIKeyZPSUEEFZLROECQ-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.47
Rot. Bonds7

About 3-N-[3-(1,3-dioxolan-2-yl)propyl]butane-1,3-diamine

3-N-[3-(1,3-dioxolan-2-yl)propyl]butane-1,3-diamine (PubChem CID 68862220) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-N-[3-(1,3-dioxolan-2-yl)propyl]butane-1,3-diamine.

Molecular Properties

Compound Name3-N-[3-(1,3-dioxolan-2-yl)propyl]butane-1,3-diamine
PubChem CID68862220
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-N-[3-(1,3-dioxolan-2-yl)propyl]butane-1,3-diamine
SMILESCC(CCN)NCCCC1OCCO1
InChIInChI=1S/C10H22N2O2/c1-9(4-5-11)12-6-2-3-10-13-7-8-14-10/h9-10,12H,2-8,11H2,1H3
InChIKeyZPSUEEFZLROECQ-UHFFFAOYSA-N
XLogP0.47
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(1,3-dioxolan-2-yl)propyl]butane-1,3-diamine?
The IUPAC name of 3-N-[3-(1,3-dioxolan-2-yl)propyl]butane-1,3-diamine (CID 68862220) is 3-N-[3-(1,3-dioxolan-2-yl)propyl]butane-1,3-diamine.
What is the SMILES notation for 3-N-[3-(1,3-dioxolan-2-yl)propyl]butane-1,3-diamine?
The canonical SMILES for 3-N-[3-(1,3-dioxolan-2-yl)propyl]butane-1,3-diamine is CC(CCN)NCCCC1OCCO1.
What is the InChIKey of 3-N-[3-(1,3-dioxolan-2-yl)propyl]butane-1,3-diamine?
The InChIKey is ZPSUEEFZLROECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-9(4-5-11)12-6-2-3-10-13-7-8-14-10/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 3-N-[3-(1,3-dioxolan-2-yl)propyl]butane-1,3-diamine?
3-N-[3-(1,3-dioxolan-2-yl)propyl]butane-1,3-diamine has a molecular weight of 202.30 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(1,3-dioxolan-2-yl)propyl]butane-1,3-diamine is sourced from PubChem (CID 68862220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).