4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine

C15H29NO2 — CID 79924363

IUPAC4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H29NO2/c1-3-8-16-13(2)4-5-14-6-9-18-15(11-14)7-10-17-12-15/h13-14,16H,3-12H2,1-2H3
InChIKeyZQIXSFYGIXXGEJ-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.74
Rot. Bonds6

About 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine

4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine (PubChem CID 79924363) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine
PubChem CID79924363
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H29NO2/c1-3-8-16-13(2)4-5-14-6-9-18-15(11-14)7-10-17-12-15/h13-14,16H,3-12H2,1-2H3
InChIKeyZQIXSFYGIXXGEJ-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine
CID 79922477
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine
CID 79923379
1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine
CID 79922713
4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
CID 79923010
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79915597
4-cyclopropyl-N-propylbutan-2-amine
CID 64504498
1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79907331
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105017232
N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895576
3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine
CID 105017087
N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107190201

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine?
The IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine (CID 79924363) is 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine is CCCNC(C)CCC1CCOC2(CCOC2)C1.
What is the InChIKey of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine?
The InChIKey is ZQIXSFYGIXXGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-8-16-13(2)4-5-14-6-9-18-15(11-14)7-10-17-12-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine?
4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine has a molecular weight of 255.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 79924363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).