ethane;1-ethyl-N,N,3-trimethylcyclobutan-1-amine

C11H25N — CID 169125880

IUPACethane;1-ethyl-N,N,3-trimethylcyclobutan-1-amine
SMILESCC.CCC1(N(C)C)CC(C)C1
InChIInChI=1S/C9H19N.C2H6/c1-5-9(10(3)4)6-8(2)7-9;1-2/h8H,5-7H2,1-4H3;1-2H3
InChIKeyGAVLQMPWMPQIHN-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.15
Rot. Bonds2

About ethane;1-ethyl-N,N,3-trimethylcyclobutan-1-amine

ethane;1-ethyl-N,N,3-trimethylcyclobutan-1-amine (PubChem CID 169125880) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is ethane;1-ethyl-N,N,3-trimethylcyclobutan-1-amine.

Molecular Properties

Compound Nameethane;1-ethyl-N,N,3-trimethylcyclobutan-1-amine
PubChem CID169125880
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Nameethane;1-ethyl-N,N,3-trimethylcyclobutan-1-amine
SMILESCC.CCC1(N(C)C)CC(C)C1
InChIInChI=1S/C9H19N.C2H6/c1-5-9(10(3)4)6-8(2)7-9;1-2/h8H,5-7H2,1-4H3;1-2H3
InChIKeyGAVLQMPWMPQIHN-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

1,1-diethyl-3-methylcyclobutane;methane
CID 171820543
ethane;propane;1,1,3-trimethylcyclobutane
CID 166460974
1,5-diethyl-1,3,5,7-tetramethylcyclooctane
CID 158662889
N-[(1-ethyl-3-methylcyclobutyl)methyl]-N-methylethanamine
CID 143174060
2-[1-(dimethylamino)-3-methylcyclopentyl]acetic acid
CID 64527962
1-(aminomethyl)-N,3-dimethyl-N-(2-methylbutyl)cyclobutan-1-amine
CID 103562600
1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 9161377
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 105413969
1,1-diethyl-3,5-dimethylcyclohexane
CID 91010762
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide
CID 61211364
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine
CID 62358998
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclopentan-1-amine
CID 105413972

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-N,N,3-trimethylcyclobutan-1-amine?
The IUPAC name of ethane;1-ethyl-N,N,3-trimethylcyclobutan-1-amine (CID 169125880) is ethane;1-ethyl-N,N,3-trimethylcyclobutan-1-amine.
What is the SMILES notation for ethane;1-ethyl-N,N,3-trimethylcyclobutan-1-amine?
The canonical SMILES for ethane;1-ethyl-N,N,3-trimethylcyclobutan-1-amine is CC.CCC1(N(C)C)CC(C)C1.
What is the InChIKey of ethane;1-ethyl-N,N,3-trimethylcyclobutan-1-amine?
The InChIKey is GAVLQMPWMPQIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C2H6/c1-5-9(10(3)4)6-8(2)7-9;1-2/h8H,5-7H2,1-4H3;1-2H3.
What are the key properties of ethane;1-ethyl-N,N,3-trimethylcyclobutan-1-amine?
ethane;1-ethyl-N,N,3-trimethylcyclobutan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-N,N,3-trimethylcyclobutan-1-amine is sourced from PubChem (CID 169125880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).