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

C16H31NO2 — CID 79923010

IUPAC4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H31NO2/c1-4-7-17-14(3)10-13(2)15-5-8-19-16(11-15)6-9-18-12-16/h13-15,17H,4-12H2,1-3H3
InChIKeyLTGIAZCSDWFSPF-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.99
Rot. Bonds6

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

4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine (PubChem CID 79923010) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
PubChem CID79923010
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H31NO2/c1-4-7-17-14(3)10-13(2)15-5-8-19-16(11-15)6-9-18-12-16/h13-15,17H,4-12H2,1-3H3
InChIKeyLTGIAZCSDWFSPF-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79915597
4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine
CID 79924363
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105017232
N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107190201
N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine
CID 116722752
N-[1,4-dioxan-2-yl(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 115824814
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutyl]hydrazine
CID 105199138
N-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105016988
4-cyclopropyl-N-propylpentan-2-amine
CID 64721662
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911722
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine
CID 79922477
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105170342

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine?
The IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine (CID 79923010) is 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine?
The canonical SMILES for 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine is CCCNC(C)CC(C)C1CCOC2(CCOC2)C1.
What is the InChIKey of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine?
The InChIKey is LTGIAZCSDWFSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-7-17-14(3)10-13(2)15-5-8-19-16(11-15)6-9-18-12-16/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine?
4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 2.99, 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-propylpentan-2-amine is sourced from PubChem (CID 79923010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).