ethane;N-methyl-N-[(1-methylcyclobutyl)methyl]ethanamine

C11H25N — CID 144654018

IUPACethane;N-methyl-N-[(1-methylcyclobutyl)methyl]ethanamine
SMILESCC.CCN(C)CC1(C)CCC1
InChIInChI=1S/C9H19N.C2H6/c1-4-10(3)8-9(2)6-5-7-9;1-2/h4-8H2,1-3H3;1-2H3
InChIKeyRMRBLRMURYRJHG-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.15
Rot. Bonds3

About ethane;N-methyl-N-[(1-methylcyclobutyl)methyl]ethanamine

ethane;N-methyl-N-[(1-methylcyclobutyl)methyl]ethanamine (PubChem CID 144654018) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is ethane;N-methyl-N-[(1-methylcyclobutyl)methyl]ethanamine.

Molecular Properties

Compound Nameethane;N-methyl-N-[(1-methylcyclobutyl)methyl]ethanamine
PubChem CID144654018
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Nameethane;N-methyl-N-[(1-methylcyclobutyl)methyl]ethanamine
SMILESCC.CCN(C)CC1(C)CCC1
InChIInChI=1S/C9H19N.C2H6/c1-4-10(3)8-9(2)6-5-7-9;1-2/h4-8H2,1-3H3;1-2H3
InChIKeyRMRBLRMURYRJHG-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115246423
N-ethyl-N-methyl-2-(1-methylcyclopropyl)ethanamine
CID 144539329
N,N-dimethyl-2-(1-methylcyclobutyl)ethanamine;ethane
CID 144987666
N-methyl-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine
CID 123373607
ethane;N-ethyl-N-methylethanamine;propane
CID 170620045
N-(1-adamantylmethyl)-N-methylethanamine;hydrochloride
CID 2834337
1,1-dimethyl-2-[(1-methylcyclobutyl)methyl]hydrazine
CID 126985336
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
3-[[ethyl(methyl)amino]methyl]piperidin-3-ol
CID 126971368
1-[(1,4-dimethylpiperidin-4-yl)methyl-methylamino]-2-methylpropan-2-ol;ethane
CID 142327129
N,N-dimethylethanamine;ethane;N-ethyl-N-methylethanamine
CID 161494620
3-[[ethyl(methyl)amino]methyl]oxolan-3-amine
CID 64893424

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[(1-methylcyclobutyl)methyl]ethanamine?
The IUPAC name of ethane;N-methyl-N-[(1-methylcyclobutyl)methyl]ethanamine (CID 144654018) is ethane;N-methyl-N-[(1-methylcyclobutyl)methyl]ethanamine.
What is the SMILES notation for ethane;N-methyl-N-[(1-methylcyclobutyl)methyl]ethanamine?
The canonical SMILES for ethane;N-methyl-N-[(1-methylcyclobutyl)methyl]ethanamine is CC.CCN(C)CC1(C)CCC1.
What is the InChIKey of ethane;N-methyl-N-[(1-methylcyclobutyl)methyl]ethanamine?
The InChIKey is RMRBLRMURYRJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C2H6/c1-4-10(3)8-9(2)6-5-7-9;1-2/h4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;N-methyl-N-[(1-methylcyclobutyl)methyl]ethanamine?
ethane;N-methyl-N-[(1-methylcyclobutyl)methyl]ethanamine has a molecular weight of 171.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[(1-methylcyclobutyl)methyl]ethanamine is sourced from PubChem (CID 144654018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).