N,N-diethyl-2,3-dimethylbutan-1-amine;ethane

C12H29N — CID 144788920

IUPACN,N-diethyl-2,3-dimethylbutan-1-amine;ethane
SMILESCC.CCN(CC)CC(C)C(C)C
InChIInChI=1S/C10H23N.C2H6/c1-6-11(7-2)8-10(5)9(3)4;1-2/h9-10H,6-8H2,1-5H3;1-2H3
InChIKeyIXTJVXYNIOLENI-UHFFFAOYSA-N
MW187.37 g/mol
LogP3.65
Rot. Bonds5

About N,N-diethyl-2,3-dimethylbutan-1-amine;ethane

N,N-diethyl-2,3-dimethylbutan-1-amine;ethane (PubChem CID 144788920) has the molecular formula C12H29N and a molecular weight of 187.37 g/mol. Its IUPAC name is N,N-diethyl-2,3-dimethylbutan-1-amine;ethane.

Molecular Properties

Compound NameN,N-diethyl-2,3-dimethylbutan-1-amine;ethane
PubChem CID144788920
Molecular FormulaC12H29N
Molecular Weight187.37 g/mol
Exact Mass187.23
IUPAC NameN,N-diethyl-2,3-dimethylbutan-1-amine;ethane
SMILESCC.CCN(CC)CC(C)C(C)C
InChIInChI=1S/C10H23N.C2H6/c1-6-11(7-2)8-10(5)9(3)4;1-2/h9-10H,6-8H2,1-5H3;1-2H3
InChIKeyIXTJVXYNIOLENI-UHFFFAOYSA-N
XLogP3.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,3-dimethylbutan-1-amine;ethane?
The IUPAC name of N,N-diethyl-2,3-dimethylbutan-1-amine;ethane (CID 144788920) is N,N-diethyl-2,3-dimethylbutan-1-amine;ethane.
What is the SMILES notation for N,N-diethyl-2,3-dimethylbutan-1-amine;ethane?
The canonical SMILES for N,N-diethyl-2,3-dimethylbutan-1-amine;ethane is CC.CCN(CC)CC(C)C(C)C.
What is the InChIKey of N,N-diethyl-2,3-dimethylbutan-1-amine;ethane?
The InChIKey is IXTJVXYNIOLENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C2H6/c1-6-11(7-2)8-10(5)9(3)4;1-2/h9-10H,6-8H2,1-5H3;1-2H3.
What are the key properties of N,N-diethyl-2,3-dimethylbutan-1-amine;ethane?
N,N-diethyl-2,3-dimethylbutan-1-amine;ethane has a molecular weight of 187.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,3-dimethylbutan-1-amine;ethane is sourced from PubChem (CID 144788920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).