N-methyl-N,N'-dipropylethanimidamide

C9H20N2 — CID 146184290

IUPACN-methyl-N,N'-dipropylethanimidamide
SMILESCCC/N=C(\C)N(C)CCC
InChIInChI=1S/C9H20N2/c1-5-7-10-9(3)11(4)8-6-2/h5-8H2,1-4H3/b10-9+
InChIKeyOXVFWRQSQPNFRY-MDZDMXLPSA-N
MW156.27 g/mol
LogP2.16
Rot. Bonds4

About N-methyl-N,N'-dipropylethanimidamide

N-methyl-N,N'-dipropylethanimidamide (PubChem CID 146184290) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-methyl-N,N'-dipropylethanimidamide.

Molecular Properties

Compound NameN-methyl-N,N'-dipropylethanimidamide
PubChem CID146184290
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-methyl-N,N'-dipropylethanimidamide
SMILESCCC/N=C(\C)N(C)CCC
InChIInChI=1S/C9H20N2/c1-5-7-10-9(3)11(4)8-6-2/h5-8H2,1-4H3/b10-9+
InChIKeyOXVFWRQSQPNFRY-MDZDMXLPSA-N
XLogP2.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.16
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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Related Compounds

N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane
CID 142097633
CID 11019709
CID 11019709
1-methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363211
1-ethyl-1,2-dipropylguanidine
CID 62359189
3-amino-1,1,2-tripropylguanidine
CID 104883381
N'-[(Z)-2-hydroxyhex-4-en-3-yl]-N-methyl-N-propylethanimidamide
CID 147053422
1,1,2,3-tetramethyl-3-propylguanidine
CID 54549543
ethane;N'-propylethanimidamide
CID 156797871
lithium 4-propyliminopent-2-en-2-olate
CID 178130174
carbonic acid;N,N-dimethyl-N'-octylethanimidamide
CID 173151477
carbonic acid;N'-hexyl-N,N-dimethylethanimidamide
CID 173151515
2-propyliminopropanoic acid
CID 91004291

Frequently Asked Questions

What is the IUPAC name of N-methyl-N,N'-dipropylethanimidamide?
The IUPAC name of N-methyl-N,N'-dipropylethanimidamide (CID 146184290) is N-methyl-N,N'-dipropylethanimidamide.
What is the SMILES notation for N-methyl-N,N'-dipropylethanimidamide?
The canonical SMILES for N-methyl-N,N'-dipropylethanimidamide is CCC/N=C(\C)N(C)CCC.
What is the InChIKey of N-methyl-N,N'-dipropylethanimidamide?
The InChIKey is OXVFWRQSQPNFRY-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-7-10-9(3)11(4)8-6-2/h5-8H2,1-4H3/b10-9+.
What are the key properties of N-methyl-N,N'-dipropylethanimidamide?
N-methyl-N,N'-dipropylethanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,N'-dipropylethanimidamide is sourced from PubChem (CID 146184290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).