N'-ethyl-N,N-dipropylmethanimidamide;hydrochloride

C9H21ClN2 — CID 88610819

IUPACN'-ethyl-N,N-dipropylmethanimidamide;hydrochloride
SMILESCCCN(/C=N/CC)CCC.Cl
InChIInChI=1S/C9H20N2.ClH/c1-4-7-11(8-5-2)9-10-6-3;/h9H,4-8H2,1-3H3;1H/b10-9+;
InChIKeyVYSHDGGNLQUARJ-RRABGKBLSA-N
MW192.73 g/mol
LogP2.58
Rot. Bonds6

About N'-ethyl-N,N-dipropylmethanimidamide;hydrochloride

N'-ethyl-N,N-dipropylmethanimidamide;hydrochloride (PubChem CID 88610819) has the molecular formula C9H21ClN2 and a molecular weight of 192.73 g/mol. Its IUPAC name is N'-ethyl-N,N-dipropylmethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-ethyl-N,N-dipropylmethanimidamide;hydrochloride
PubChem CID88610819
Molecular FormulaC9H21ClN2
Molecular Weight192.73 g/mol
Exact Mass192.14
IUPAC NameN'-ethyl-N,N-dipropylmethanimidamide;hydrochloride
SMILESCCCN(/C=N/CC)CCC.Cl
InChIInChI=1S/C9H20N2.ClH/c1-4-7-11(8-5-2)9-10-6-3;/h9H,4-8H2,1-3H3;1H/b10-9+;
InChIKeyVYSHDGGNLQUARJ-RRABGKBLSA-N
XLogP2.58
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.73
LogP ≤ 52.58
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'-(dimethoxymethyl)-N,N-dipropylmethanimidamide
CID 71334378
N,N'-diethyl-N-methylmethanimidamide
CID 88937103
N-[(Z)-but-1-enyl]-N'-ethyl-N-methylmethanimidamide
CID 163950051
N,N-dipropylbut-1-en-1-amine
CID 575133
N-ethyl-2-(2-ethyliminoethoxy)ethanimine;hydrochloride
CID 141168137
N,N-dipropylpropan-1-amine;pentahydrochloride
CID 172789957
N,N-dipropylmethanimidamide
CID 87832225
ethane;N-ethenyl-N-ethylpropan-1-amine
CID 143192910
N,N-dipropylpent-1-en-1-amine
CID 71318717
N-(methylsulfinylmethyl)-N-propylformamide
CID 91073027
(Z)-2-chloro-3-(dipropylamino)prop-2-enoic acid
CID 175065950
butane;sulfane;hydrochloride
CID 173081400

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dipropylmethanimidamide;hydrochloride?
The IUPAC name of N'-ethyl-N,N-dipropylmethanimidamide;hydrochloride (CID 88610819) is N'-ethyl-N,N-dipropylmethanimidamide;hydrochloride.
What is the SMILES notation for N'-ethyl-N,N-dipropylmethanimidamide;hydrochloride?
The canonical SMILES for N'-ethyl-N,N-dipropylmethanimidamide;hydrochloride is CCCN(/C=N/CC)CCC.Cl.
What is the InChIKey of N'-ethyl-N,N-dipropylmethanimidamide;hydrochloride?
The InChIKey is VYSHDGGNLQUARJ-RRABGKBLSA-N. The full InChI is InChI=1S/C9H20N2.ClH/c1-4-7-11(8-5-2)9-10-6-3;/h9H,4-8H2,1-3H3;1H/b10-9+;.
What are the key properties of N'-ethyl-N,N-dipropylmethanimidamide;hydrochloride?
N'-ethyl-N,N-dipropylmethanimidamide;hydrochloride has a molecular weight of 192.73 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dipropylmethanimidamide;hydrochloride is sourced from PubChem (CID 88610819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).