N-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine

C16H29NO3 — CID 115824817

IUPACN-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCOC2(CCC2)C1)C1COCCO1
InChIInChI=1S/C16H29NO3/c1-2-7-17-15(14-12-18-9-10-19-14)13-4-8-20-16(11-13)5-3-6-16/h13-15,17H,2-12H2,1H3
InChIKeyLNGJZPWDUDSPSJ-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.12
Rot. Bonds5

About N-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine

N-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine (PubChem CID 115824817) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is N-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
PubChem CID115824817
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC NameN-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCOC2(CCC2)C1)C1COCCO1
InChIInChI=1S/C16H29NO3/c1-2-7-17-15(14-12-18-9-10-19-14)13-4-8-20-16(11-13)5-3-6-16/h13-15,17H,2-12H2,1H3
InChIKeyLNGJZPWDUDSPSJ-UHFFFAOYSA-N
XLogP2.12
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1,4-dioxan-2-yl(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 115824814
N-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 115824809
N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910518
N-[(2-methylcyclopropyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79911700
N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79907861
N-[(2,2-dimethylcyclopropyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 107004801
N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79908691
N-[(3-methylcyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910791
N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 65352596
1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 115824800
N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine
CID 79908146
N-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
CID 103547014

Frequently Asked Questions

What is the IUPAC name of N-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine?
The IUPAC name of N-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine (CID 115824817) is N-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine is CCCNC(C1CCOC2(CCC2)C1)C1COCCO1.
What is the InChIKey of N-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine?
The InChIKey is LNGJZPWDUDSPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-2-7-17-15(14-12-18-9-10-19-14)13-4-8-20-16(11-13)5-3-6-16/h13-15,17H,2-12H2,1H3.
What are the key properties of N-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine?
N-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine has a molecular weight of 283.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine is sourced from PubChem (CID 115824817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).