4-(1,4-dioxaspiro[4.4]nonan-3-yl)butan-1-amine

C11H21NO2 — CID 58527524

IUPAC4-(1,4-dioxaspiro[4.4]nonan-3-yl)butan-1-amine
SMILESNCCCCC1COC2(CCCC2)O1
InChIInChI=1S/C11H21NO2/c12-8-4-1-5-10-9-13-11(14-10)6-2-3-7-11/h10H,1-9,12H2
InChIKeyOHOZNSICNWMBRE-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.80
Rot. Bonds4

About 4-(1,4-dioxaspiro[4.4]nonan-3-yl)butan-1-amine

4-(1,4-dioxaspiro[4.4]nonan-3-yl)butan-1-amine (PubChem CID 58527524) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-(1,4-dioxaspiro[4.4]nonan-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-(1,4-dioxaspiro[4.4]nonan-3-yl)butan-1-amine
PubChem CID58527524
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-(1,4-dioxaspiro[4.4]nonan-3-yl)butan-1-amine
SMILESNCCCCC1COC2(CCCC2)O1
InChIInChI=1S/C11H21NO2/c12-8-4-1-5-10-9-13-11(14-10)6-2-3-7-11/h10H,1-9,12H2
InChIKeyOHOZNSICNWMBRE-UHFFFAOYSA-N
XLogP1.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.80
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

(3S)-3-(3-bromopropyl)-1,4-dioxaspiro[4.5]decane
CID 11817886
3-propyl-1,4-dioxaspiro[4.4]nonane
CID 14592507
N'-[[(3R)-1,4-dioxaspiro[4.11]hexadecan-3-yl]methyl]ethane-1,2-diamine
CID 2056580
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)ethane-1,2-diamine
CID 71402411
3-ethyl-1,4-dioxaspiro[4.4]nonane
CID 20802298
methyl 9-(1,4-dioxaspiro[4.4]nonan-3-yl)nonanoate
CID 15103364
(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
CID 129156956
2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]guanidine
CID 45356255
2-(1,4-dioxaspiro[4.4]nonan-3-yl)acetonitrile
CID 55270226
2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl methanesulfonate
CID 145095983
(8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine
CID 82777122
1-[[(3S)-1,4-dioxaspiro[4.11]hexadecan-3-yl]methyl]piperidin-1-ium
CID 7123569

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxaspiro[4.4]nonan-3-yl)butan-1-amine?
The IUPAC name of 4-(1,4-dioxaspiro[4.4]nonan-3-yl)butan-1-amine (CID 58527524) is 4-(1,4-dioxaspiro[4.4]nonan-3-yl)butan-1-amine.
What is the SMILES notation for 4-(1,4-dioxaspiro[4.4]nonan-3-yl)butan-1-amine?
The canonical SMILES for 4-(1,4-dioxaspiro[4.4]nonan-3-yl)butan-1-amine is NCCCCC1COC2(CCCC2)O1.
What is the InChIKey of 4-(1,4-dioxaspiro[4.4]nonan-3-yl)butan-1-amine?
The InChIKey is OHOZNSICNWMBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c12-8-4-1-5-10-9-13-11(14-10)6-2-3-7-11/h10H,1-9,12H2.
What are the key properties of 4-(1,4-dioxaspiro[4.4]nonan-3-yl)butan-1-amine?
4-(1,4-dioxaspiro[4.4]nonan-3-yl)butan-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxaspiro[4.4]nonan-3-yl)butan-1-amine is sourced from PubChem (CID 58527524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).