N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine

C15H29NO2 — CID 79894816

IUPACN-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCCCC(CC)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H29NO2/c1-3-5-13(4-2)16-14-6-9-18-15(12-14)7-10-17-11-8-15/h13-14,16H,3-12H2,1-2H3
InChIKeyFZLZMAZWRJCVFS-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.88
Rot. Bonds5

About N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine

N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 79894816) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID79894816
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCCCC(CC)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H29NO2/c1-3-5-13(4-2)16-14-6-9-18-15(12-14)7-10-17-11-8-15/h13-14,16H,3-12H2,1-2H3
InChIKeyFZLZMAZWRJCVFS-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79904199
N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 113472784
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol
CID 79903083
N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895576
N-hexan-3-ylcyclopropanamine
CID 103920845
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide
CID 115733463
N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 79895651
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79899608
N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103791803

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine (CID 79894816) is N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine is CCCC(CC)NC1CCOC2(CCOCC2)C1.
What is the InChIKey of N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is FZLZMAZWRJCVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-5-13(4-2)16-14-6-9-18-15(12-14)7-10-17-11-8-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine?
N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 255.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79894816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).