N-ethyl-N-methanidylpropan-1-amine

C6H14N- — CID 59691637

IUPACN-ethyl-N-methanidylpropan-1-amine
SMILES[CH2-]N(CC)CCC
InChIInChI=1S/C6H14N/c1-4-6-7(3)5-2/h3-6H2,1-2H3/q-1
InChIKeyZPSTYXTWPQBFCS-UHFFFAOYSA-N
MW100.19 g/mol
LogP1.51
Rot. Bonds3

About N-ethyl-N-methanidylpropan-1-amine

N-ethyl-N-methanidylpropan-1-amine (PubChem CID 59691637) has the molecular formula C6H14N- and a molecular weight of 100.19 g/mol. Its IUPAC name is N-ethyl-N-methanidylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-methanidylpropan-1-amine
PubChem CID59691637
Molecular FormulaC6H14N-
Molecular Weight100.19 g/mol
Exact Mass100.11
IUPAC NameN-ethyl-N-methanidylpropan-1-amine
SMILES[CH2-]N(CC)CCC
InChIInChI=1S/C6H14N/c1-4-6-7(3)5-2/h3-6H2,1-2H3/q-1
InChIKeyZPSTYXTWPQBFCS-UHFFFAOYSA-N
XLogP1.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.19
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-methanidylpropan-1-amine;yttrium
CID 165098751
N-ethyl-N-methanidylethanamine;rhenium
CID 59858121
copper;tris(N-ethyl-N-methanidylethanamine)
CID 163917323
2-[methanidyl(propyl)amino]ethanol
CID 159970489
1,1,2-triethyl-2-propylhydrazine
CID 54254142
N,N-diethylpropan-1-amine;methane
CID 144711865
N,N-diethylethanamine;N,N-dipropylpropan-1-amine
CID 22257187
N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813
N,N-bis(diethylamino)propan-1-amine
CID 87639908
N,N-dipropylpropan-1-amine;pentahydrochloride
CID 172789957
Tripropylamineborane
CID 21315686
N,N-dipropylpropan-1-amine;propane
CID 174574210

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methanidylpropan-1-amine?
The IUPAC name of N-ethyl-N-methanidylpropan-1-amine (CID 59691637) is N-ethyl-N-methanidylpropan-1-amine.
What is the SMILES notation for N-ethyl-N-methanidylpropan-1-amine?
The canonical SMILES for N-ethyl-N-methanidylpropan-1-amine is [CH2-]N(CC)CCC.
What is the InChIKey of N-ethyl-N-methanidylpropan-1-amine?
The InChIKey is ZPSTYXTWPQBFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N/c1-4-6-7(3)5-2/h3-6H2,1-2H3/q-1.
What are the key properties of N-ethyl-N-methanidylpropan-1-amine?
N-ethyl-N-methanidylpropan-1-amine has a molecular weight of 100.19 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methanidylpropan-1-amine is sourced from PubChem (CID 59691637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).