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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Related Compounds

CID 174643223
CID 174643223
1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 57251767
(2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride
CID 137346902
3-(diethylamino)-2-methylpropan-1-ol
CID 159908880
N,N-diethyl-2-hydrazinylpropan-1-amine
CID 55279029
2-(diethylamino)ethane-1,1-diol;hydrobromide
CID 175089044
2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine;hydrochloride
CID 21140406
N,N-diethylethanamine;propan-2-ylphosphane
CID 88654253
N,N-diethylethanamine;propan-2-amine
CID 19095085
2,3-dimethylpentane;ethane;methane
CID 143379754
N,N-diethylethanamine;ethane
CID 22114990
2-N-tert-butyl-1-N,1-N-diethylpropane-1,2-diamine
CID 126758240

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).