N-tert-butyl-N'-[2-(diethylamino)ethyl]propanimidamide

C13H29N3 — CID 162702427

IUPACN-tert-butyl-N'-[2-(diethylamino)ethyl]propanimidamide
SMILESCC/C(=N\CCN(CC)CC)NC(C)(C)C
InChIInChI=1S/C13H29N3/c1-7-12(15-13(4,5)6)14-10-11-16(8-2)9-3/h7-11H2,1-6H3,(H,14,15)
InChIKeyILYLEPZSAMCVGQ-UHFFFAOYSA-N
MW227.40 g/mol
LogP2.52
Rot. Bonds6

About N-tert-butyl-N'-[2-(diethylamino)ethyl]propanimidamide

N-tert-butyl-N'-[2-(diethylamino)ethyl]propanimidamide (PubChem CID 162702427) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-tert-butyl-N'-[2-(diethylamino)ethyl]propanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N'-[2-(diethylamino)ethyl]propanimidamide
PubChem CID162702427
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN-tert-butyl-N'-[2-(diethylamino)ethyl]propanimidamide
SMILESCC/C(=N\CCN(CC)CC)NC(C)(C)C
InChIInChI=1S/C13H29N3/c1-7-12(15-13(4,5)6)14-10-11-16(8-2)9-3/h7-11H2,1-6H3,(H,14,15)
InChIKeyILYLEPZSAMCVGQ-UHFFFAOYSA-N
XLogP2.52
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-tert-butyl-2-[2-(diethylamino)ethyl]guanidine;hydroiodide
CID 110911999
3-[2-[bis[2-(diethylamino)ethyl]amino]ethylimino]-2-methylbutane-2-thiol
CID 101365164
N-tert-butyl-3-(diethylamino)propanamide
CID 109030701
2-[2-(diethylamino)ethyl]-1,1-diethylguanidine
CID 111022676
1-tert-butyl-3-ethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110965066
N-tert-butyl-2-[[[2-(diethylamino)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111384845
N-tert-butyl-2-[3-(diethylamino)propylamino]acetamide
CID 28581448
2-[2-[ethyl(propyl)amino]ethyl]guanidine
CID 103718965
N-tert-butyl-2-(diethylamino)acetamide;hydrochloride
CID 138397018
2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111600581
N-tert-butyl-2-[[[4-(diethylamino)butylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111385375
N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen
CID 142350039

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[2-(diethylamino)ethyl]propanimidamide?
The IUPAC name of N-tert-butyl-N'-[2-(diethylamino)ethyl]propanimidamide (CID 162702427) is N-tert-butyl-N'-[2-(diethylamino)ethyl]propanimidamide.
What is the SMILES notation for N-tert-butyl-N'-[2-(diethylamino)ethyl]propanimidamide?
The canonical SMILES for N-tert-butyl-N'-[2-(diethylamino)ethyl]propanimidamide is CC/C(=N\CCN(CC)CC)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-[2-(diethylamino)ethyl]propanimidamide?
The InChIKey is ILYLEPZSAMCVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-7-12(15-13(4,5)6)14-10-11-16(8-2)9-3/h7-11H2,1-6H3,(H,14,15).
What are the key properties of N-tert-butyl-N'-[2-(diethylamino)ethyl]propanimidamide?
N-tert-butyl-N'-[2-(diethylamino)ethyl]propanimidamide has a molecular weight of 227.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[2-(diethylamino)ethyl]propanimidamide is sourced from PubChem (CID 162702427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).