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

C16H24N2O2 — CID 79903039

IUPACN-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCc1cccnc1CNC1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H24N2O2/c1-13-3-2-7-17-15(13)12-18-14-4-8-20-16(11-14)5-9-19-10-6-16/h2-3,7,14,18H,4-6,8-12H2,1H3
InChIKeyFCXQUPUXVAWMFY-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.21
Rot. Bonds3

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

N-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 79903039) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID79903039
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCc1cccnc1CNC1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H24N2O2/c1-13-3-2-7-17-15(13)12-18-14-4-8-20-16(11-14)5-9-19-10-6-16/h2-3,7,14,18H,4-6,8-12H2,1H3
InChIKeyFCXQUPUXVAWMFY-UHFFFAOYSA-N
XLogP2.21
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904113
N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 82737815
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
(4S)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96578367
N-[(4,5-dimethylthiophen-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903616
4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79740955
[3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230719
N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904034
N-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide
CID 98897720
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70707369
(4S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96580007
(5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 97255391

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine (CID 79903039) is N-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine is Cc1cccnc1CNC1CCOC2(CCOCC2)C1.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is FCXQUPUXVAWMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-3-2-7-17-15(13)12-18-14-4-8-20-16(11-14)5-9-19-10-6-16/h2-3,7,14,18H,4-6,8-12H2,1H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
N-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 276.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79903039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).