N-tert-butyl-N'-ethyl-3-(ethylamino)propanimidamide

C11H25N3 — CID 59838083

IUPACN-tert-butyl-N'-ethyl-3-(ethylamino)propanimidamide
SMILESCC/N=C(\CCNCC)NC(C)(C)C
InChIInChI=1S/C11H25N3/c1-6-12-9-8-10(13-7-2)14-11(3,4)5/h12H,6-9H2,1-5H3,(H,13,14)
InChIKeyXQACLAHGGMCZMD-UHFFFAOYSA-N
MW199.34 g/mol
LogP1.79
Rot. Bonds5

About N-tert-butyl-N'-ethyl-3-(ethylamino)propanimidamide

N-tert-butyl-N'-ethyl-3-(ethylamino)propanimidamide (PubChem CID 59838083) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N-tert-butyl-N'-ethyl-3-(ethylamino)propanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N'-ethyl-3-(ethylamino)propanimidamide
PubChem CID59838083
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN-tert-butyl-N'-ethyl-3-(ethylamino)propanimidamide
SMILESCC/N=C(\CCNCC)NC(C)(C)C
InChIInChI=1S/C11H25N3/c1-6-12-9-8-10(13-7-2)14-11(3,4)5/h12H,6-9H2,1-5H3,(H,13,14)
InChIKeyXQACLAHGGMCZMD-UHFFFAOYSA-N
XLogP1.79
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-ethyl-3-(ethylamino)propanimidamide?
The IUPAC name of N-tert-butyl-N'-ethyl-3-(ethylamino)propanimidamide (CID 59838083) is N-tert-butyl-N'-ethyl-3-(ethylamino)propanimidamide.
What is the SMILES notation for N-tert-butyl-N'-ethyl-3-(ethylamino)propanimidamide?
The canonical SMILES for N-tert-butyl-N'-ethyl-3-(ethylamino)propanimidamide is CC/N=C(\CCNCC)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-ethyl-3-(ethylamino)propanimidamide?
The InChIKey is XQACLAHGGMCZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-6-12-9-8-10(13-7-2)14-11(3,4)5/h12H,6-9H2,1-5H3,(H,13,14).
What are the key properties of N-tert-butyl-N'-ethyl-3-(ethylamino)propanimidamide?
N-tert-butyl-N'-ethyl-3-(ethylamino)propanimidamide has a molecular weight of 199.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-ethyl-3-(ethylamino)propanimidamide is sourced from PubChem (CID 59838083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).