ethane;N-ethyl-N-propan-2-ylbutan-2-amine

C11H27N — CID 143592166

IUPACethane;N-ethyl-N-propan-2-ylbutan-2-amine
SMILESCC.CCC(C)N(CC)C(C)C
InChIInChI=1S/C9H21N.C2H6/c1-6-9(5)10(7-2)8(3)4;1-2/h8-9H,6-7H2,1-5H3;1-2H3
InChIKeyWVNMQDPIFVSWMY-UHFFFAOYSA-N
MW173.34 g/mol
LogP3.54
Rot. Bonds4

About ethane;N-ethyl-N-propan-2-ylbutan-2-amine

ethane;N-ethyl-N-propan-2-ylbutan-2-amine (PubChem CID 143592166) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is ethane;N-ethyl-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Nameethane;N-ethyl-N-propan-2-ylbutan-2-amine
PubChem CID143592166
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC Nameethane;N-ethyl-N-propan-2-ylbutan-2-amine
SMILESCC.CCC(C)N(CC)C(C)C
InChIInChI=1S/C9H21N.C2H6/c1-6-9(5)10(7-2)8(3)4;1-2/h8-9H,6-7H2,1-5H3;1-2H3
InChIKeyWVNMQDPIFVSWMY-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-propan-2-ylbutan-2-amine
CID 20659804
N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine
CID 71309796
Lithium diisopropylethylamine
CID 86615685
N-ethyl-N-propan-2-ylpropan-2-amine;trihydrofluoride
CID 45108321
bis(N-ethyl-N-propan-2-ylpropan-2-amine);hydrofluoride
CID 159245549
magnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride
CID 174345193
sodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride
CID 159603940
sodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide
CID 174682450
N-(2-methylpropyl)-N-propan-2-ylbutan-2-amine
CID 139772547
N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol
CID 159144844
N-ethyl-N-propan-2-ylhexan-2-amine
CID 87847746
N-ethyl-2,2-dimethyl-N-propan-2-ylpentan-3-amine
CID 88589499

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-propan-2-ylbutan-2-amine?
The IUPAC name of ethane;N-ethyl-N-propan-2-ylbutan-2-amine (CID 143592166) is ethane;N-ethyl-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for ethane;N-ethyl-N-propan-2-ylbutan-2-amine?
The canonical SMILES for ethane;N-ethyl-N-propan-2-ylbutan-2-amine is CC.CCC(C)N(CC)C(C)C.
What is the InChIKey of ethane;N-ethyl-N-propan-2-ylbutan-2-amine?
The InChIKey is WVNMQDPIFVSWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C2H6/c1-6-9(5)10(7-2)8(3)4;1-2/h8-9H,6-7H2,1-5H3;1-2H3.
What are the key properties of ethane;N-ethyl-N-propan-2-ylbutan-2-amine?
ethane;N-ethyl-N-propan-2-ylbutan-2-amine has a molecular weight of 173.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 143592166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).