N,N-dimethyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)ethanamine;methanamine;3-methylpentane

C20H45N3 — CID 144515727

IUPACN,N-dimethyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)ethanamine;methanamine;3-methylpentane
SMILESCC1CCC2(CC1)CN(CCN(C)C)C2.CCC(C)CC.CN
InChIInChI=1S/C13H26N2.C6H14.CH5N/c1-12-4-6-13(7-5-12)10-15(11-13)9-8-14(2)3;1-4-6(3)5-2;1-2/h12H,4-11H2,1-3H3;6H,4-5H2,1-3H3;2H2,1H3
InChIKeyJISSMCOSQOXXDS-UHFFFAOYSA-N
MW327.60 g/mol
LogP4.08
Rot. Bonds5

About N,N-dimethyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)ethanamine;methanamine;3-methylpentane

N,N-dimethyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)ethanamine;methanamine;3-methylpentane (PubChem CID 144515727) has the molecular formula C20H45N3 and a molecular weight of 327.60 g/mol. Its IUPAC name is N,N-dimethyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)ethanamine;methanamine;3-methylpentane.

Molecular Properties

Compound NameN,N-dimethyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)ethanamine;methanamine;3-methylpentane
PubChem CID144515727
Molecular FormulaC20H45N3
Molecular Weight327.60 g/mol
Exact Mass327.36
IUPAC NameN,N-dimethyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)ethanamine;methanamine;3-methylpentane
SMILESCC1CCC2(CC1)CN(CCN(C)C)C2.CCC(C)CC.CN
InChIInChI=1S/C13H26N2.C6H14.CH5N/c1-12-4-6-13(7-5-12)10-15(11-13)9-8-14(2)3;1-4-6(3)5-2;1-2/h12H,4-11H2,1-3H3;6H,4-5H2,1-3H3;2H2,1H3
InChIKeyJISSMCOSQOXXDS-UHFFFAOYSA-N
XLogP4.08
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.60
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-(2-methyl-7-azaspiro[3.5]nonan-7-yl)ethanamine;ethane;2-methylbutane
CID 144959325
N,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride
CID 131886647
1,4-dimethylcyclohexane;3-methylpentane;propane
CID 91316763
3,9-dimethylspiro[5.5]undecane;methanamine
CID 176558454
2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanamine;2-methylbutane
CID 144515654
N-methyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)-N-(2-methylbutan-2-yl)acetamide
CID 169216222
1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
CID 63487333
1-[1-(dimethylamino)-4-methylcyclohexyl]-3-methylpentan-1-ol
CID 79066173
N,N-dimethyl-2-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)ethanamine
CID 176824106
1-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)cycloheptan-1-amine
CID 65084874
1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine
CID 79328509
2-(2-methoxyethyl)-6-methyl-2-azaspiro[3.4]octane
CID 144866517

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)ethanamine;methanamine;3-methylpentane?
The IUPAC name of N,N-dimethyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)ethanamine;methanamine;3-methylpentane (CID 144515727) is N,N-dimethyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)ethanamine;methanamine;3-methylpentane.
What is the SMILES notation for N,N-dimethyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)ethanamine;methanamine;3-methylpentane?
The canonical SMILES for N,N-dimethyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)ethanamine;methanamine;3-methylpentane is CC1CCC2(CC1)CN(CCN(C)C)C2.CCC(C)CC.CN.
What is the InChIKey of N,N-dimethyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)ethanamine;methanamine;3-methylpentane?
The InChIKey is JISSMCOSQOXXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C6H14.CH5N/c1-12-4-6-13(7-5-12)10-15(11-13)9-8-14(2)3;1-4-6(3)5-2;1-2/h12H,4-11H2,1-3H3;6H,4-5H2,1-3H3;2H2,1H3.
What are the key properties of N,N-dimethyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)ethanamine;methanamine;3-methylpentane?
N,N-dimethyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)ethanamine;methanamine;3-methylpentane has a molecular weight of 327.60 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)ethanamine;methanamine;3-methylpentane is sourced from PubChem (CID 144515727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).