N-methyl-N-propylmethanimidamide

C5H11N2- — CID 91040161

IUPACN-methyl-N-propylmethanimidamide
SMILES[H]/N=C/N(C)CC[CH2-]
InChIInChI=1S/C5H11N2/c1-3-4-7(2)5-6/h5-6H,1,3-4H2,2H3/q-1/b6-5+
InChIKeyOSTNVSKEYMKUQO-AATRIKPKSA-N
MW99.16 g/mol
LogP0.75
Rot. Bonds3

About N-methyl-N-propylmethanimidamide

N-methyl-N-propylmethanimidamide (PubChem CID 91040161) has the molecular formula C5H11N2- and a molecular weight of 99.16 g/mol. Its IUPAC name is N-methyl-N-propylmethanimidamide.

Molecular Properties

Compound NameN-methyl-N-propylmethanimidamide
PubChem CID91040161
Molecular FormulaC5H11N2-
Molecular Weight99.16 g/mol
Exact Mass99.09
IUPAC NameN-methyl-N-propylmethanimidamide
SMILES[H]/N=C/N(C)CC[CH2-]
InChIInChI=1S/C5H11N2/c1-3-4-7(2)5-6/h5-6H,1,3-4H2,2H3/q-1/b6-5+
InChIKeyOSTNVSKEYMKUQO-AATRIKPKSA-N
XLogP0.75
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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-methyl-N-propylmethanimidamide?
The IUPAC name of N-methyl-N-propylmethanimidamide (CID 91040161) is N-methyl-N-propylmethanimidamide.
What is the SMILES notation for N-methyl-N-propylmethanimidamide?
The canonical SMILES for N-methyl-N-propylmethanimidamide is [H]/N=C/N(C)CC[CH2-].
What is the InChIKey of N-methyl-N-propylmethanimidamide?
The InChIKey is OSTNVSKEYMKUQO-AATRIKPKSA-N. The full InChI is InChI=1S/C5H11N2/c1-3-4-7(2)5-6/h5-6H,1,3-4H2,2H3/q-1/b6-5+.
What are the key properties of N-methyl-N-propylmethanimidamide?
N-methyl-N-propylmethanimidamide has a molecular weight of 99.16 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propylmethanimidamide is sourced from PubChem (CID 91040161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).