N-ethyl-N-propylmethanimidamide

C6H14N2 — CID 123711409

IUPACN-ethyl-N-propylmethanimidamide
SMILES[H]/N=C/N(CC)CCC
InChIInChI=1S/C6H14N2/c1-3-5-8(4-2)6-7/h6-7H,3-5H2,1-2H3/b7-6+
InChIKeyLHRMYNWSICMHHL-VOTSOKGWSA-N
MW114.19 g/mol
LogP1.33
Rot. Bonds4

About N-ethyl-N-propylmethanimidamide

N-ethyl-N-propylmethanimidamide (PubChem CID 123711409) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N-ethyl-N-propylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N-propylmethanimidamide
PubChem CID123711409
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN-ethyl-N-propylmethanimidamide
SMILES[H]/N=C/N(CC)CCC
InChIInChI=1S/C6H14N2/c1-3-5-8(4-2)6-7/h6-7H,3-5H2,1-2H3/b7-6+
InChIKeyLHRMYNWSICMHHL-VOTSOKGWSA-N
XLogP1.33
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.33
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-Di-2-propanylimidoformamide
CID 19782034
N,N-Dipropylimidoformamide
CID 87832225
Dibutylformamidine
CID 14411101
Methyl-propylguanidine
CID 18614735
N-methyl-N-propylformamidine
CID 19782058
N-methyl-N-propylethanimidamide
CID 59020701
n,n-Dipropyl-guanidine
CID 9494
N,N-Diethylimidoformamide
CID 17912027
N-(3-fluoropropyl)-N-methylmethanimidamide
CID 54223803
N-butyl-N-methylmethanimidamide
CID 12914603
CID 19737112
CID 19737112
N-ethyl-N-methylmethanimidamide
CID 20348162

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propylmethanimidamide?
The IUPAC name of N-ethyl-N-propylmethanimidamide (CID 123711409) is N-ethyl-N-propylmethanimidamide.
What is the SMILES notation for N-ethyl-N-propylmethanimidamide?
The canonical SMILES for N-ethyl-N-propylmethanimidamide is [H]/N=C/N(CC)CCC.
What is the InChIKey of N-ethyl-N-propylmethanimidamide?
The InChIKey is LHRMYNWSICMHHL-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H14N2/c1-3-5-8(4-2)6-7/h6-7H,3-5H2,1-2H3/b7-6+.
What are the key properties of N-ethyl-N-propylmethanimidamide?
N-ethyl-N-propylmethanimidamide has a molecular weight of 114.19 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propylmethanimidamide is sourced from PubChem (CID 123711409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).