N,N',3-trimethyl-N-propan-2-ylbut-2-enimidamide

C10H20N2 — CID 121310093

IUPACN,N',3-trimethyl-N-propan-2-ylbut-2-enimidamide
SMILESC/N=C(\C=C(C)C)N(C)C(C)C
InChIInChI=1S/C10H20N2/c1-8(2)7-10(11-5)12(6)9(3)4/h7,9H,1-6H3/b11-10+
InChIKeyICRXGSUWSOZRDK-ZHACJKMWSA-N
MW168.28 g/mol
LogP2.32
Rot. Bonds2

About N,N',3-trimethyl-N-propan-2-ylbut-2-enimidamide

N,N',3-trimethyl-N-propan-2-ylbut-2-enimidamide (PubChem CID 121310093) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N,N',3-trimethyl-N-propan-2-ylbut-2-enimidamide.

Molecular Properties

Compound NameN,N',3-trimethyl-N-propan-2-ylbut-2-enimidamide
PubChem CID121310093
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN,N',3-trimethyl-N-propan-2-ylbut-2-enimidamide
SMILESC/N=C(\C=C(C)C)N(C)C(C)C
InChIInChI=1S/C10H20N2/c1-8(2)7-10(11-5)12(6)9(3)4/h7,9H,1-6H3/b11-10+
InChIKeyICRXGSUWSOZRDK-ZHACJKMWSA-N
XLogP2.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.32
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',3-trimethyl-N-propan-2-ylbut-2-enimidamide?
The IUPAC name of N,N',3-trimethyl-N-propan-2-ylbut-2-enimidamide (CID 121310093) is N,N',3-trimethyl-N-propan-2-ylbut-2-enimidamide.
What is the SMILES notation for N,N',3-trimethyl-N-propan-2-ylbut-2-enimidamide?
The canonical SMILES for N,N',3-trimethyl-N-propan-2-ylbut-2-enimidamide is C/N=C(\C=C(C)C)N(C)C(C)C.
What is the InChIKey of N,N',3-trimethyl-N-propan-2-ylbut-2-enimidamide?
The InChIKey is ICRXGSUWSOZRDK-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)7-10(11-5)12(6)9(3)4/h7,9H,1-6H3/b11-10+.
What are the key properties of N,N',3-trimethyl-N-propan-2-ylbut-2-enimidamide?
N,N',3-trimethyl-N-propan-2-ylbut-2-enimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',3-trimethyl-N-propan-2-ylbut-2-enimidamide is sourced from PubChem (CID 121310093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).