N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine

C16H29NO2 — CID 79903159

IUPACN-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCC1(C)C(NC2CCOC3(CCOCC3)C2)C1(C)C
InChIInChI=1S/C16H29NO2/c1-14(2)13(15(14,3)4)17-12-5-8-19-16(11-12)6-9-18-10-7-16/h12-13,17H,5-11H2,1-4H3
InChIKeyLSJKJKNWYVDCFH-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.74
Rot. Bonds2

About N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine

N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 79903159) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID79903159
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCC1(C)C(NC2CCOC3(CCOCC3)C2)C1(C)C
InChIInChI=1S/C16H29NO2/c1-14(2)13(15(14,3)4)17-12-5-8-19-16(11-12)6-9-18-10-7-16/h12-13,17H,5-11H2,1-4H3
InChIKeyLSJKJKNWYVDCFH-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903238
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895145
N-(2-methoxycyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895178
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine
CID 115894817
N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903430
[1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol
CID 79899613
N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903372
4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione
CID 79900516
N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 113472784

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine (CID 79903159) is N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine is CC1(C)C(NC2CCOC3(CCOCC3)C2)C1(C)C.
What is the InChIKey of N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is LSJKJKNWYVDCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-14(2)13(15(14,3)4)17-12-5-8-19-16(11-12)6-9-18-10-7-16/h12-13,17H,5-11H2,1-4H3.
What are the key properties of N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 267.41 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79903159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).