4-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine

C8H17NO2 — CID 15580818

IUPAC4-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine
SMILESCC1(CCCCN)OCCO1
InChIInChI=1S/C8H17NO2/c1-8(4-2-3-5-9)10-6-7-11-8/h2-7,9H2,1H3
InChIKeyZCUJMFCFOODBGV-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.88
Rot. Bonds4

About 4-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine

4-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine (PubChem CID 15580818) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine
PubChem CID15580818
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine
SMILESCC1(CCCCN)OCCO1
InChIInChI=1S/C8H17NO2/c1-8(4-2-3-5-9)10-6-7-11-8/h2-7,9H2,1H3
InChIKeyZCUJMFCFOODBGV-UHFFFAOYSA-N
XLogP0.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Aminopropyltriethoxyethane
CID 19733592
4-[2-(Trifluoromethyl)-1,3-dioxolan-2-yl]butan-1-amine
CID 126578081
3-(2-Methyl-1,3-dioxolan-2-yl)-1-propanamine
CID 560007
6-(2-Methyl-1,3-dioxolan-2-yl)hexan-2-amine
CID 101504448
3-(2,2-Dimethyl-1,3-dioxolan-4-yl)-3-fluoropropan-1-amine
CID 165708463
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
2-Ethyl-2-(1-aminopropyl)-1,3-dioxolane
CID 21497429
5-(1,3-Dioxolan-2-yl)pentan-2-amine
CID 22887848
4-(2-Methyl-1,3-dioxolan-2-yl)butan-2-amine
CID 24774298

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine?
The IUPAC name of 4-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine (CID 15580818) is 4-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine.
What is the SMILES notation for 4-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine?
The canonical SMILES for 4-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine is CC1(CCCCN)OCCO1.
What is the InChIKey of 4-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine?
The InChIKey is ZCUJMFCFOODBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(4-2-3-5-9)10-6-7-11-8/h2-7,9H2,1H3.
What are the key properties of 4-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine?
4-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine has a molecular weight of 159.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine is sourced from PubChem (CID 15580818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).