ethane;N-ethyl-2-imino-N,3-dimethylbut-3-en-1-amine

C10H22N2 — CID 156651760

IUPACethane;N-ethyl-2-imino-N,3-dimethylbut-3-en-1-amine
SMILESCC.[H]/N=C(/CN(C)CC)C(=C)C
InChIInChI=1S/C8H16N2.C2H6/c1-5-10(4)6-8(9)7(2)3;1-2/h9H,2,5-6H2,1,3-4H3;1-2H3/b9-8-;
InChIKeyLUGFQELSSOJDGM-UOQXYWCXSA-N
MW170.30 g/mol
LogP2.56
Rot. Bonds4

About ethane;N-ethyl-2-imino-N,3-dimethylbut-3-en-1-amine

ethane;N-ethyl-2-imino-N,3-dimethylbut-3-en-1-amine (PubChem CID 156651760) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is ethane;N-ethyl-2-imino-N,3-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-2-imino-N,3-dimethylbut-3-en-1-amine
PubChem CID156651760
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nameethane;N-ethyl-2-imino-N,3-dimethylbut-3-en-1-amine
SMILESCC.[H]/N=C(/CN(C)CC)C(=C)C
InChIInChI=1S/C8H16N2.C2H6/c1-5-10(4)6-8(9)7(2)3;1-2/h9H,2,5-6H2,1,3-4H3;1-2H3/b9-8-;
InChIKeyLUGFQELSSOJDGM-UOQXYWCXSA-N
XLogP2.56
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-imino-N,3-dimethylbut-3-en-1-amine?
The IUPAC name of ethane;N-ethyl-2-imino-N,3-dimethylbut-3-en-1-amine (CID 156651760) is ethane;N-ethyl-2-imino-N,3-dimethylbut-3-en-1-amine.
What is the SMILES notation for ethane;N-ethyl-2-imino-N,3-dimethylbut-3-en-1-amine?
The canonical SMILES for ethane;N-ethyl-2-imino-N,3-dimethylbut-3-en-1-amine is CC.[H]/N=C(/CN(C)CC)C(=C)C.
What is the InChIKey of ethane;N-ethyl-2-imino-N,3-dimethylbut-3-en-1-amine?
The InChIKey is LUGFQELSSOJDGM-UOQXYWCXSA-N. The full InChI is InChI=1S/C8H16N2.C2H6/c1-5-10(4)6-8(9)7(2)3;1-2/h9H,2,5-6H2,1,3-4H3;1-2H3/b9-8-;.
What are the key properties of ethane;N-ethyl-2-imino-N,3-dimethylbut-3-en-1-amine?
ethane;N-ethyl-2-imino-N,3-dimethylbut-3-en-1-amine has a molecular weight of 170.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-imino-N,3-dimethylbut-3-en-1-amine is sourced from PubChem (CID 156651760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).