N'-[2-[di(propan-2-yl)amino]ethyl]propanimidamide

C11H25N3 — CID 63174026

IUPACN'-[2-[di(propan-2-yl)amino]ethyl]propanimidamide
SMILESCC/C(N)=N\CCN(C(C)C)C(C)C
InChIInChI=1S/C11H25N3/c1-6-11(12)13-7-8-14(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3,(H2,12,13)
InChIKeyAAGWFXQGRBYWKV-UHFFFAOYSA-N
MW199.34 g/mol
LogP1.87
Rot. Bonds6

About N'-[2-[di(propan-2-yl)amino]ethyl]propanimidamide

N'-[2-[di(propan-2-yl)amino]ethyl]propanimidamide (PubChem CID 63174026) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N'-[2-[di(propan-2-yl)amino]ethyl]propanimidamide.

Molecular Properties

Compound NameN'-[2-[di(propan-2-yl)amino]ethyl]propanimidamide
PubChem CID63174026
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN'-[2-[di(propan-2-yl)amino]ethyl]propanimidamide
SMILESCC/C(N)=N\CCN(C(C)C)C(C)C
InChIInChI=1S/C11H25N3/c1-6-11(12)13-7-8-14(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3,(H2,12,13)
InChIKeyAAGWFXQGRBYWKV-UHFFFAOYSA-N
XLogP1.87
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-[2-[di(propan-2-yl)amino]ethyl]propanimidamide?
The IUPAC name of N'-[2-[di(propan-2-yl)amino]ethyl]propanimidamide (CID 63174026) is N'-[2-[di(propan-2-yl)amino]ethyl]propanimidamide.
What is the SMILES notation for N'-[2-[di(propan-2-yl)amino]ethyl]propanimidamide?
The canonical SMILES for N'-[2-[di(propan-2-yl)amino]ethyl]propanimidamide is CC/C(N)=N\CCN(C(C)C)C(C)C.
What is the InChIKey of N'-[2-[di(propan-2-yl)amino]ethyl]propanimidamide?
The InChIKey is AAGWFXQGRBYWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-6-11(12)13-7-8-14(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3,(H2,12,13).
What are the key properties of N'-[2-[di(propan-2-yl)amino]ethyl]propanimidamide?
N'-[2-[di(propan-2-yl)amino]ethyl]propanimidamide has a molecular weight of 199.34 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[di(propan-2-yl)amino]ethyl]propanimidamide is sourced from PubChem (CID 63174026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).