N-methyl-N-propylmethanimidamide

C5H12N2 — CID 19782058

IUPACN-methyl-N-propylmethanimidamide
SMILES[H]/N=C/N(C)CCC
InChIInChI=1S/C5H12N2/c1-3-4-7(2)5-6/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyRVBWDSOYSQRVEI-AATRIKPKSA-N
MW100.16 g/mol
LogP0.94
Rot. Bonds3

About N-methyl-N-propylmethanimidamide

N-methyl-N-propylmethanimidamide (PubChem CID 19782058) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is N-methyl-N-propylmethanimidamide.

Molecular Properties

Compound NameN-methyl-N-propylmethanimidamide
PubChem CID19782058
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC NameN-methyl-N-propylmethanimidamide
SMILES[H]/N=C/N(C)CCC
InChIInChI=1S/C5H12N2/c1-3-4-7(2)5-6/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyRVBWDSOYSQRVEI-AATRIKPKSA-N
XLogP0.94
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.94
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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Related Compounds

N,N-Dipropylimidoformamide
CID 87832225
Dibutylformamidine
CID 14411101
Methyl-propylguanidine
CID 18614735
N,N-Diethylimidoformamide
CID 17912027
N-(2-fluoroethyl)-N-methylmethanimidamide
CID 53690279
N-(3-fluoropropyl)-N-methylmethanimidamide
CID 54223803
Methylpropylguanidine hydrochloride
CID 172994316
N-butyl-N-methylmethanimidamide
CID 12914603
1-Butyl-1-methylguanidine
CID 18681284
Azetidin-1-ylmethanimine
CID 20132304
N-ethyl-N-methylmethanimidamide
CID 20348162
1-Ethyl-1-propylguanidine
CID 20383621

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propylmethanimidamide?
The IUPAC name of N-methyl-N-propylmethanimidamide (CID 19782058) 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)CCC.
What is the InChIKey of N-methyl-N-propylmethanimidamide?
The InChIKey is RVBWDSOYSQRVEI-AATRIKPKSA-N. The full InChI is InChI=1S/C5H12N2/c1-3-4-7(2)5-6/h5-6H,3-4H2,1-2H3/b6-5+.
What are the key properties of N-methyl-N-propylmethanimidamide?
N-methyl-N-propylmethanimidamide has a molecular weight of 100.16 g/mol, XLogP of 0.94, 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 19782058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).