N,N-dimethyl-2-(2-methyl-7-azaspiro[3.5]nonan-7-yl)ethanamine;ethane;2-methylbutane

C26H62N2 — CID 144959325

IUPACN,N-dimethyl-2-(2-methyl-7-azaspiro[3.5]nonan-7-yl)ethanamine;ethane;2-methylbutane
SMILESCC.CC.CC.CC.CC1CC2(CCN(CCN(C)C)CC2)C1.CCC(C)C
InChIInChI=1S/C13H26N2.C5H12.4C2H6/c1-12-10-13(11-12)4-6-15(7-5-13)9-8-14(2)3;1-4-5(2)3;4*1-2/h12H,4-11H2,1-3H3;5H,4H2,1-3H3;4*1-2H3
InChIKeyWRJOGKBDGZQKIS-UHFFFAOYSA-N
MW402.80 g/mol
LogP8.22
Rot. Bonds4

About N,N-dimethyl-2-(2-methyl-7-azaspiro[3.5]nonan-7-yl)ethanamine;ethane;2-methylbutane

N,N-dimethyl-2-(2-methyl-7-azaspiro[3.5]nonan-7-yl)ethanamine;ethane;2-methylbutane (PubChem CID 144959325) has the molecular formula C26H62N2 and a molecular weight of 402.80 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methyl-7-azaspiro[3.5]nonan-7-yl)ethanamine;ethane;2-methylbutane.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methyl-7-azaspiro[3.5]nonan-7-yl)ethanamine;ethane;2-methylbutane
PubChem CID144959325
Molecular FormulaC26H62N2
Molecular Weight402.80 g/mol
Exact Mass402.49
IUPAC NameN,N-dimethyl-2-(2-methyl-7-azaspiro[3.5]nonan-7-yl)ethanamine;ethane;2-methylbutane
SMILESCC.CC.CC.CC.CC1CC2(CCN(CCN(C)C)CC2)C1.CCC(C)C
InChIInChI=1S/C13H26N2.C5H12.4C2H6/c1-12-10-13(11-12)4-6-15(7-5-13)9-8-14(2)3;1-4-5(2)3;4*1-2/h12H,4-11H2,1-3H3;5H,4H2,1-3H3;4*1-2H3
InChIKeyWRJOGKBDGZQKIS-UHFFFAOYSA-N
XLogP8.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.80
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-2-(2-methyl-7-azaspiro[3.5]nonan-7-yl)ethanamine;ethane;2-methylbutane with MolForge

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Related Compounds

N,N-dimethyl-2-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)ethanamine
CID 176824106
7-(2-methoxyethyl)-2-methyl-7-azaspiro[3.5]nonane;propane
CID 177319194
7-(2-methoxyethyl)-2-methyl-7-azaspiro[3.5]nonane
CID 167041007
N,N-dimethyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)ethanamine;methanamine;3-methylpentane
CID 144515727
N,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride
CID 131886647
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanamine;2-methylbutane
CID 144515654
ethane;[7-[2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]ethyl]-7-azaspiro[3.5]nonan-2-yl]methanol
CID 170569478
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
3-(8-azaspiro[4.5]decan-8-yl)-N,N-dimethylpropan-1-amine
CID 129349796
2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane
CID 167091118
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 43253206

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methyl-7-azaspiro[3.5]nonan-7-yl)ethanamine;ethane;2-methylbutane?
The IUPAC name of N,N-dimethyl-2-(2-methyl-7-azaspiro[3.5]nonan-7-yl)ethanamine;ethane;2-methylbutane (CID 144959325) is N,N-dimethyl-2-(2-methyl-7-azaspiro[3.5]nonan-7-yl)ethanamine;ethane;2-methylbutane.
What is the SMILES notation for N,N-dimethyl-2-(2-methyl-7-azaspiro[3.5]nonan-7-yl)ethanamine;ethane;2-methylbutane?
The canonical SMILES for N,N-dimethyl-2-(2-methyl-7-azaspiro[3.5]nonan-7-yl)ethanamine;ethane;2-methylbutane is CC.CC.CC.CC.CC1CC2(CCN(CCN(C)C)CC2)C1.CCC(C)C.
What is the InChIKey of N,N-dimethyl-2-(2-methyl-7-azaspiro[3.5]nonan-7-yl)ethanamine;ethane;2-methylbutane?
The InChIKey is WRJOGKBDGZQKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C5H12.4C2H6/c1-12-10-13(11-12)4-6-15(7-5-13)9-8-14(2)3;1-4-5(2)3;4*1-2/h12H,4-11H2,1-3H3;5H,4H2,1-3H3;4*1-2H3.
What are the key properties of N,N-dimethyl-2-(2-methyl-7-azaspiro[3.5]nonan-7-yl)ethanamine;ethane;2-methylbutane?
N,N-dimethyl-2-(2-methyl-7-azaspiro[3.5]nonan-7-yl)ethanamine;ethane;2-methylbutane has a molecular weight of 402.80 g/mol, XLogP of 8.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methyl-7-azaspiro[3.5]nonan-7-yl)ethanamine;ethane;2-methylbutane is sourced from PubChem (CID 144959325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).