N,N'-dimethyl-N-propan-2-ylmethanimidamide

C6H14N2 — CID 21338725

IUPACN,N'-dimethyl-N-propan-2-ylmethanimidamide
SMILESC/N=C/N(C)C(C)C
InChIInChI=1S/C6H14N2/c1-6(2)8(4)5-7-3/h5-6H,1-4H3/b7-5+
InChIKeyGRYLXLSOOQFPGH-FNORWQNLSA-N
MW114.19 g/mol
LogP0.98
Rot. Bonds2

About N,N'-dimethyl-N-propan-2-ylmethanimidamide

N,N'-dimethyl-N-propan-2-ylmethanimidamide (PubChem CID 21338725) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N,N'-dimethyl-N-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-N-propan-2-ylmethanimidamide
PubChem CID21338725
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN,N'-dimethyl-N-propan-2-ylmethanimidamide
SMILESC/N=C/N(C)C(C)C
InChIInChI=1S/C6H14N2/c1-6(2)8(4)5-7-3/h5-6H,1-4H3/b7-5+
InChIKeyGRYLXLSOOQFPGH-FNORWQNLSA-N
XLogP0.98
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.98
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-ylmethanimidamide?
The IUPAC name of N,N'-dimethyl-N-propan-2-ylmethanimidamide (CID 21338725) is N,N'-dimethyl-N-propan-2-ylmethanimidamide.
What is the SMILES notation for N,N'-dimethyl-N-propan-2-ylmethanimidamide?
The canonical SMILES for N,N'-dimethyl-N-propan-2-ylmethanimidamide is C/N=C/N(C)C(C)C.
What is the InChIKey of N,N'-dimethyl-N-propan-2-ylmethanimidamide?
The InChIKey is GRYLXLSOOQFPGH-FNORWQNLSA-N. The full InChI is InChI=1S/C6H14N2/c1-6(2)8(4)5-7-3/h5-6H,1-4H3/b7-5+.
What are the key properties of N,N'-dimethyl-N-propan-2-ylmethanimidamide?
N,N'-dimethyl-N-propan-2-ylmethanimidamide has a molecular weight of 114.19 g/mol, XLogP of 0.98, 2 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-ylmethanimidamide is sourced from PubChem (CID 21338725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).