2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanamine;2-methylbutane

C14H30N2 — CID 144515654

IUPAC2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanamine;2-methylbutane
SMILESCC1CC2(C1)CN(CCN)C2.CCC(C)C
InChIInChI=1S/C9H18N2.C5H12/c1-8-4-9(5-8)6-11(7-9)3-2-10;1-4-5(2)3/h8H,2-7,10H2,1H3;5H,4H2,1-3H3
InChIKeyLWOYMTZEENLIBF-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.73
Rot. Bonds3

About 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanamine;2-methylbutane

2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanamine;2-methylbutane (PubChem CID 144515654) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanamine;2-methylbutane.

Molecular Properties

Compound Name2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanamine;2-methylbutane
PubChem CID144515654
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanamine;2-methylbutane
SMILESCC1CC2(C1)CN(CCN)C2.CCC(C)C
InChIInChI=1S/C9H18N2.C5H12/c1-8-4-9(5-8)6-11(7-9)3-2-10;1-4-5(2)3/h8H,2-7,10H2,1H3;5H,4H2,1-3H3
InChIKeyLWOYMTZEENLIBF-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
2-(2-azaspiro[3.3]heptan-2-yl)ethanamine
CID 55289039
2-(3,3-dimethylazetidin-1-yl)ethanamine
CID 55289245
2-(4-methylpiperidin-1-yl)ethanamine;propane
CID 142306647
N,N-dimethyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)ethanamine;methanamine;3-methylpentane
CID 144515727
2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)pentan-3-one
CID 163725007
6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-2-azaspiro[3.3]heptane
CID 145221794
butane;6-methyl-2-azaspiro[3.3]heptane-2-carboxamide
CID 144515655
2-ethyl-1,2,4,6-tetramethyl-6-(2-methylpropyl)piperidine
CID 155393528
2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 79188103
2-(3-ethoxy-3-methylazetidin-1-yl)ethanamine
CID 131227820
2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 4742453

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanamine;2-methylbutane?
The IUPAC name of 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanamine;2-methylbutane (CID 144515654) is 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanamine;2-methylbutane.
What is the SMILES notation for 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanamine;2-methylbutane?
The canonical SMILES for 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanamine;2-methylbutane is CC1CC2(C1)CN(CCN)C2.CCC(C)C.
What is the InChIKey of 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanamine;2-methylbutane?
The InChIKey is LWOYMTZEENLIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C5H12/c1-8-4-9(5-8)6-11(7-9)3-2-10;1-4-5(2)3/h8H,2-7,10H2,1H3;5H,4H2,1-3H3.
What are the key properties of 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanamine;2-methylbutane?
2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanamine;2-methylbutane has a molecular weight of 226.41 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanamine;2-methylbutane is sourced from PubChem (CID 144515654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).