N-butyl-N-ethenylpropanimidamide;ethane;methane

C14H34N2 — CID 144672533

IUPACN-butyl-N-ethenylpropanimidamide;ethane;methane
SMILESC.CC.CC.[H]/N=C(\CC)N(C=C)CCCC
InChIInChI=1S/C9H18N2.2C2H6.CH4/c1-4-7-8-11(6-3)9(10)5-2;2*1-2;/h6,10H,3-5,7-8H2,1-2H3;2*1-2H3;1H4/b10-9+;;;
InChIKeySNPQRVJPZXUFPS-WCVSPGPUSA-N
MW230.44 g/mol
LogP5.31
Rot. Bonds5

About N-butyl-N-ethenylpropanimidamide;ethane;methane

N-butyl-N-ethenylpropanimidamide;ethane;methane (PubChem CID 144672533) has the molecular formula C14H34N2 and a molecular weight of 230.44 g/mol. Its IUPAC name is N-butyl-N-ethenylpropanimidamide;ethane;methane.

Molecular Properties

Compound NameN-butyl-N-ethenylpropanimidamide;ethane;methane
PubChem CID144672533
Molecular FormulaC14H34N2
Molecular Weight230.44 g/mol
Exact Mass230.27
IUPAC NameN-butyl-N-ethenylpropanimidamide;ethane;methane
SMILESC.CC.CC.[H]/N=C(\CC)N(C=C)CCCC
InChIInChI=1S/C9H18N2.2C2H6.CH4/c1-4-7-8-11(6-3)9(10)5-2;2*1-2;/h6,10H,3-5,7-8H2,1-2H3;2*1-2H3;1H4/b10-9+;;;
InChIKeySNPQRVJPZXUFPS-WCVSPGPUSA-N
XLogP5.31
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.44
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethenylpropanimidamide;ethane;methane?
The IUPAC name of N-butyl-N-ethenylpropanimidamide;ethane;methane (CID 144672533) is N-butyl-N-ethenylpropanimidamide;ethane;methane.
What is the SMILES notation for N-butyl-N-ethenylpropanimidamide;ethane;methane?
The canonical SMILES for N-butyl-N-ethenylpropanimidamide;ethane;methane is C.CC.CC.[H]/N=C(\CC)N(C=C)CCCC.
What is the InChIKey of N-butyl-N-ethenylpropanimidamide;ethane;methane?
The InChIKey is SNPQRVJPZXUFPS-WCVSPGPUSA-N. The full InChI is InChI=1S/C9H18N2.2C2H6.CH4/c1-4-7-8-11(6-3)9(10)5-2;2*1-2;/h6,10H,3-5,7-8H2,1-2H3;2*1-2H3;1H4/b10-9+;;;.
What are the key properties of N-butyl-N-ethenylpropanimidamide;ethane;methane?
N-butyl-N-ethenylpropanimidamide;ethane;methane has a molecular weight of 230.44 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethenylpropanimidamide;ethane;methane is sourced from PubChem (CID 144672533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).