N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine

C15H29NO2 — CID 79895576

IUPACN-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCCCCCC(C)NC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H29NO2/c1-3-4-5-6-13(2)16-14-7-9-18-15(11-14)8-10-17-12-15/h13-14,16H,3-12H2,1-2H3
InChIKeySPGMCYRDXBQVOG-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.88
Rot. Bonds6

About N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine

N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79895576) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79895576
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCCCCCC(C)NC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H29NO2/c1-3-4-5-6-13(2)16-14-7-9-18-15(11-14)8-10-17-12-15/h13-14,16H,3-12H2,1-2H3
InChIKeySPGMCYRDXBQVOG-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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

N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 79895651
N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895528
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 113472784
N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81384866
N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79894816
1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105017103
N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903955
N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895513
3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 83176706
N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903290

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine (CID 79895576) is N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine is CCCCCC(C)NC1CCOC2(CCOC2)C1.
What is the InChIKey of N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is SPGMCYRDXBQVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-4-5-6-13(2)16-14-7-9-18-15(11-14)8-10-17-12-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine?
N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 255.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79895576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).