N,3-dimethyl-N'-propan-2-yl-N-propylbut-2-enimidamide

C12H24N2 — CID 130433841

IUPACN,3-dimethyl-N'-propan-2-yl-N-propylbut-2-enimidamide
SMILESCCCN(C)/C(C=C(C)C)=N/C(C)C
InChIInChI=1S/C12H24N2/c1-7-8-14(6)12(9-10(2)3)13-11(4)5/h9,11H,7-8H2,1-6H3/b13-12+
InChIKeyLDQCKPGNIMAZAP-OUKQBFOZSA-N
MW196.34 g/mol
LogP3.10
Rot. Bonds4

About N,3-dimethyl-N'-propan-2-yl-N-propylbut-2-enimidamide

N,3-dimethyl-N'-propan-2-yl-N-propylbut-2-enimidamide (PubChem CID 130433841) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N,3-dimethyl-N'-propan-2-yl-N-propylbut-2-enimidamide.

Molecular Properties

Compound NameN,3-dimethyl-N'-propan-2-yl-N-propylbut-2-enimidamide
PubChem CID130433841
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN,3-dimethyl-N'-propan-2-yl-N-propylbut-2-enimidamide
SMILESCCCN(C)/C(C=C(C)C)=N/C(C)C
InChIInChI=1S/C12H24N2/c1-7-8-14(6)12(9-10(2)3)13-11(4)5/h9,11H,7-8H2,1-6H3/b13-12+
InChIKeyLDQCKPGNIMAZAP-OUKQBFOZSA-N
XLogP3.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.10
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,3-dimethyl-N'-propan-2-yl-N-propylbut-2-enimidamide?
The IUPAC name of N,3-dimethyl-N'-propan-2-yl-N-propylbut-2-enimidamide (CID 130433841) is N,3-dimethyl-N'-propan-2-yl-N-propylbut-2-enimidamide.
What is the SMILES notation for N,3-dimethyl-N'-propan-2-yl-N-propylbut-2-enimidamide?
The canonical SMILES for N,3-dimethyl-N'-propan-2-yl-N-propylbut-2-enimidamide is CCCN(C)/C(C=C(C)C)=N/C(C)C.
What is the InChIKey of N,3-dimethyl-N'-propan-2-yl-N-propylbut-2-enimidamide?
The InChIKey is LDQCKPGNIMAZAP-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H24N2/c1-7-8-14(6)12(9-10(2)3)13-11(4)5/h9,11H,7-8H2,1-6H3/b13-12+.
What are the key properties of N,3-dimethyl-N'-propan-2-yl-N-propylbut-2-enimidamide?
N,3-dimethyl-N'-propan-2-yl-N-propylbut-2-enimidamide has a molecular weight of 196.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N'-propan-2-yl-N-propylbut-2-enimidamide is sourced from PubChem (CID 130433841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).