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

C14H37N — CID 143818510

IUPACethane;N-ethyl-N,3-dimethylbutan-1-amine
SMILESCC.CC.CC.CCN(C)CCC(C)C
InChIInChI=1S/C8H19N.3C2H6/c1-5-9(4)7-6-8(2)3;3*1-2/h8H,5-7H2,1-4H3;3*1-2H3
InChIKeyJKWKQVPISIYVAT-UHFFFAOYSA-N
MW219.46 g/mol
LogP5.06
Rot. Bonds4

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

ethane;N-ethyl-N,3-dimethylbutan-1-amine (PubChem CID 143818510) has the molecular formula C14H37N and a molecular weight of 219.46 g/mol. Its IUPAC name is ethane;N-ethyl-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-N,3-dimethylbutan-1-amine
PubChem CID143818510
Molecular FormulaC14H37N
Molecular Weight219.46 g/mol
Exact Mass219.29
IUPAC Nameethane;N-ethyl-N,3-dimethylbutan-1-amine
SMILESCC.CC.CC.CCN(C)CCC(C)C
InChIInChI=1S/C8H19N.3C2H6/c1-5-9(4)7-6-8(2)3;3*1-2/h8H,5-7H2,1-4H3;3*1-2H3
InChIKeyJKWKQVPISIYVAT-UHFFFAOYSA-N
XLogP5.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500219.46
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
ethane;N-ethyl-N,2-dimethylpropan-1-amine
CID 143400672
(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine
CID 153352387
3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane
CID 156728034
N'-ethyl-N',2-dimethylbutane-1,4-diamine
CID 81079542
propane;N,N,3-trimethylbutan-1-amine
CID 144828505
N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine
CID 167108595
N-ethyl-N,3,5-trimethylheptan-1-amine
CID 123997066
4-[ethyl(methyl)amino]-2-methylbutanenitrile
CID 88586045
ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 176935759
N-ethyl-3-methyl-N-propylbutan-1-amine
CID 89085287

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N,3-dimethylbutan-1-amine?
The IUPAC name of ethane;N-ethyl-N,3-dimethylbutan-1-amine (CID 143818510) is ethane;N-ethyl-N,3-dimethylbutan-1-amine.
What is the SMILES notation for ethane;N-ethyl-N,3-dimethylbutan-1-amine?
The canonical SMILES for ethane;N-ethyl-N,3-dimethylbutan-1-amine is CC.CC.CC.CCN(C)CCC(C)C.
What is the InChIKey of ethane;N-ethyl-N,3-dimethylbutan-1-amine?
The InChIKey is JKWKQVPISIYVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.3C2H6/c1-5-9(4)7-6-8(2)3;3*1-2/h8H,5-7H2,1-4H3;3*1-2H3.
What are the key properties of ethane;N-ethyl-N,3-dimethylbutan-1-amine?
ethane;N-ethyl-N,3-dimethylbutan-1-amine has a molecular weight of 219.46 g/mol, XLogP of 5.06, 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,3-dimethylbutan-1-amine is sourced from PubChem (CID 143818510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).