N,N-di(propan-2-yl)methanimidamide

C7H16N2 — CID 19782034

IUPACN,N-di(propan-2-yl)methanimidamide
SMILES[H]/N=C/N(C(C)C)C(C)C
InChIInChI=1S/C7H16N2/c1-6(2)9(5-8)7(3)4/h5-8H,1-4H3/b8-5+
InChIKeyZQRAQDIQRXIIGH-VMPITWQZSA-N
MW128.22 g/mol
LogP1.71
Rot. Bonds3

About N,N-di(propan-2-yl)methanimidamide

N,N-di(propan-2-yl)methanimidamide (PubChem CID 19782034) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N,N-di(propan-2-yl)methanimidamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)methanimidamide
PubChem CID19782034
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN,N-di(propan-2-yl)methanimidamide
SMILES[H]/N=C/N(C(C)C)C(C)C
InChIInChI=1S/C7H16N2/c1-6(2)9(5-8)7(3)4/h5-8H,1-4H3/b8-5+
InChIKeyZQRAQDIQRXIIGH-VMPITWQZSA-N
XLogP1.71
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.71
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,N-di(propan-2-yl)methanimidamide?
The IUPAC name of N,N-di(propan-2-yl)methanimidamide (CID 19782034) is N,N-di(propan-2-yl)methanimidamide.
What is the SMILES notation for N,N-di(propan-2-yl)methanimidamide?
The canonical SMILES for N,N-di(propan-2-yl)methanimidamide is [H]/N=C/N(C(C)C)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)methanimidamide?
The InChIKey is ZQRAQDIQRXIIGH-VMPITWQZSA-N. The full InChI is InChI=1S/C7H16N2/c1-6(2)9(5-8)7(3)4/h5-8H,1-4H3/b8-5+.
What are the key properties of N,N-di(propan-2-yl)methanimidamide?
N,N-di(propan-2-yl)methanimidamide has a molecular weight of 128.22 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)methanimidamide is sourced from PubChem (CID 19782034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).