N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine

C16H30N2O2 — CID 115894817

IUPACN-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H30N2O2/c1-13-12-18(2)7-3-15(13)17-14-4-8-20-16(11-14)5-9-19-10-6-16/h13-15,17H,3-12H2,1-2H3
InChIKeyJPDXNXIWIHLCSF-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.64
Rot. Bonds2

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

N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine (PubChem CID 115894817) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine
PubChem CID115894817
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H30N2O2/c1-13-12-18(2)7-3-15(13)17-14-4-8-20-16(11-14)5-9-19-10-6-16/h13-15,17H,3-12H2,1-2H3
InChIKeyJPDXNXIWIHLCSF-UHFFFAOYSA-N
XLogP1.64
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903372
N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903159
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79900174
N-(2-methoxycyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895178
N-(2-ethyloxan-4-yl)-1,3-dimethylpiperidin-4-amine
CID 114503263
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79898198
N-(1,3-dimethylpiperidin-4-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114503286
1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine
CID 115615447
N-(3-ethylcyclopentyl)-1,3-dimethylpiperidin-4-amine
CID 115717575
3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione
CID 79900516

Frequently Asked Questions

What is the IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine (CID 115894817) is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine is CC1CN(C)CCC1NC1CCOC2(CCOCC2)C1.
What is the InChIKey of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine?
The InChIKey is JPDXNXIWIHLCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13-12-18(2)7-3-15(13)17-14-4-8-20-16(11-14)5-9-19-10-6-16/h13-15,17H,3-12H2,1-2H3.
What are the key properties of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine?
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine has a molecular weight of 282.43 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 115894817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).