N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine

C15H25NO2 — CID 79895513

IUPACN-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESC1CC2(CO1)CC(NC(C1CC1)C1CC1)CCO2
InChIInChI=1S/C15H25NO2/c1-2-11(1)14(12-3-4-12)16-13-5-7-18-15(9-13)6-8-17-10-15/h11-14,16H,1-10H2
InChIKeyQYHRQPNBAYYIKL-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.10
Rot. Bonds4

About N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79895513) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79895513
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESC1CC2(CO1)CC(NC(C1CC1)C1CC1)CCO2
InChIInChI=1S/C15H25NO2/c1-2-11(1)14(12-3-4-12)16-13-5-7-18-15(9-13)6-8-17-10-15/h11-14,16H,1-10H2
InChIKeyQYHRQPNBAYYIKL-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81384866
N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
[2,6-dioxaspiro[4.5]decan-9-yl(oxan-4-yl)methyl]hydrazine
CID 105229794
N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895528
N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895576
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-3-phenylpropan-1-ol
CID 79899907
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81355317
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-N-(2-methylpropyl)propanamide
CID 115885270
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid
CID 79894126
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81352982

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79895513) is N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine is C1CC2(CO1)CC(NC(C1CC1)C1CC1)CCO2.
What is the InChIKey of N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is QYHRQPNBAYYIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-11(1)14(12-3-4-12)16-13-5-7-18-15(9-13)6-8-17-10-15/h11-14,16H,1-10H2.
What are the key properties of N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 251.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79895513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).