N,N'-dimethyl-N-propan-2-ylethanimidamide;ethane

C9H22N2 — CID 142573113

IUPACN,N'-dimethyl-N-propan-2-ylethanimidamide;ethane
SMILESC/N=C(\C)N(C)C(C)C.CC
InChIInChI=1S/C7H16N2.C2H6/c1-6(2)9(5)7(3)8-4;1-2/h6H,1-5H3;1-2H3/b8-7+;
InChIKeyLEHXNEJZFQUEPL-USRGLUTNSA-N
MW158.29 g/mol
LogP2.40
Rot. Bonds1

About N,N'-dimethyl-N-propan-2-ylethanimidamide;ethane

N,N'-dimethyl-N-propan-2-ylethanimidamide;ethane (PubChem CID 142573113) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N,N'-dimethyl-N-propan-2-ylethanimidamide;ethane.

Molecular Properties

Compound NameN,N'-dimethyl-N-propan-2-ylethanimidamide;ethane
PubChem CID142573113
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN,N'-dimethyl-N-propan-2-ylethanimidamide;ethane
SMILESC/N=C(\C)N(C)C(C)C.CC
InChIInChI=1S/C7H16N2.C2H6/c1-6(2)9(5)7(3)8-4;1-2/h6H,1-5H3;1-2H3/b8-7+;
InChIKeyLEHXNEJZFQUEPL-USRGLUTNSA-N
XLogP2.40
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 52.40
H-Bond Donors ≤ 50
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,N'-dimethyl-N-propan-2-ylethanimidamide;ethane?
The IUPAC name of N,N'-dimethyl-N-propan-2-ylethanimidamide;ethane (CID 142573113) is N,N'-dimethyl-N-propan-2-ylethanimidamide;ethane.
What is the SMILES notation for N,N'-dimethyl-N-propan-2-ylethanimidamide;ethane?
The canonical SMILES for N,N'-dimethyl-N-propan-2-ylethanimidamide;ethane is C/N=C(\C)N(C)C(C)C.CC.
What is the InChIKey of N,N'-dimethyl-N-propan-2-ylethanimidamide;ethane?
The InChIKey is LEHXNEJZFQUEPL-USRGLUTNSA-N. The full InChI is InChI=1S/C7H16N2.C2H6/c1-6(2)9(5)7(3)8-4;1-2/h6H,1-5H3;1-2H3/b8-7+;.
What are the key properties of N,N'-dimethyl-N-propan-2-ylethanimidamide;ethane?
N,N'-dimethyl-N-propan-2-ylethanimidamide;ethane has a molecular weight of 158.29 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-propan-2-ylethanimidamide;ethane is sourced from PubChem (CID 142573113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).