ethane;2-imino-N,N,3-trimethylbut-3-en-1-amine

C9H20N2 — CID 164927114

IUPACethane;2-imino-N,N,3-trimethylbut-3-en-1-amine
SMILESCC.[H]/N=C(\CN(C)C)C(=C)C
InChIInChI=1S/C7H14N2.C2H6/c1-6(2)7(8)5-9(3)4;1-2/h8H,1,5H2,2-4H3;1-2H3/b8-7+;
InChIKeyVIEGSMACNMEXMF-USRGLUTNSA-N
MW156.27 g/mol
LogP2.17
Rot. Bonds3

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

ethane;2-imino-N,N,3-trimethylbut-3-en-1-amine (PubChem CID 164927114) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;2-imino-N,N,3-trimethylbut-3-en-1-amine.

Molecular Properties

Compound Nameethane;2-imino-N,N,3-trimethylbut-3-en-1-amine
PubChem CID164927114
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameethane;2-imino-N,N,3-trimethylbut-3-en-1-amine
SMILESCC.[H]/N=C(\CN(C)C)C(=C)C
InChIInChI=1S/C7H14N2.C2H6/c1-6(2)7(8)5-9(3)4;1-2/h8H,1,5H2,2-4H3;1-2H3/b8-7+;
InChIKeyVIEGSMACNMEXMF-USRGLUTNSA-N
XLogP2.17
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.17
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;2-imino-N,N,3-trimethylbut-3-en-1-amine?
The IUPAC name of ethane;2-imino-N,N,3-trimethylbut-3-en-1-amine (CID 164927114) is ethane;2-imino-N,N,3-trimethylbut-3-en-1-amine.
What is the SMILES notation for ethane;2-imino-N,N,3-trimethylbut-3-en-1-amine?
The canonical SMILES for ethane;2-imino-N,N,3-trimethylbut-3-en-1-amine is CC.[H]/N=C(\CN(C)C)C(=C)C.
What is the InChIKey of ethane;2-imino-N,N,3-trimethylbut-3-en-1-amine?
The InChIKey is VIEGSMACNMEXMF-USRGLUTNSA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c1-6(2)7(8)5-9(3)4;1-2/h8H,1,5H2,2-4H3;1-2H3/b8-7+;.
What are the key properties of ethane;2-imino-N,N,3-trimethylbut-3-en-1-amine?
ethane;2-imino-N,N,3-trimethylbut-3-en-1-amine has a molecular weight of 156.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-imino-N,N,3-trimethylbut-3-en-1-amine is sourced from PubChem (CID 164927114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).