N-[3-(diethylamino)propyl]-N-ethylethanimidamide

C11H25N3 — CID 102998150

IUPACN-[3-(diethylamino)propyl]-N-ethylethanimidamide
SMILES[H]/N=C(\C)N(CC)CCCN(CC)CC
InChIInChI=1S/C11H25N3/c1-5-13(6-2)9-8-10-14(7-3)11(4)12/h12H,5-10H2,1-4H3/b12-11+
InChIKeyCUMCDOPFAMZMMR-VAWYXSNFSA-N
MW199.34 g/mol
LogP2.04
Rot. Bonds7

About N-[3-(diethylamino)propyl]-N-ethylethanimidamide

N-[3-(diethylamino)propyl]-N-ethylethanimidamide (PubChem CID 102998150) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N-ethylethanimidamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N-ethylethanimidamide
PubChem CID102998150
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN-[3-(diethylamino)propyl]-N-ethylethanimidamide
SMILES[H]/N=C(\C)N(CC)CCCN(CC)CC
InChIInChI=1S/C11H25N3/c1-5-13(6-2)9-8-10-14(7-3)11(4)12/h12H,5-10H2,1-4H3/b12-11+
InChIKeyCUMCDOPFAMZMMR-VAWYXSNFSA-N
XLogP2.04
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.04
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

N-[3-(diethylamino)propyl]-N-ethylacetamide
CID 102998319
N-[3-(diethylamino)propyl]-N-ethylprop-2-enamide
CID 102991803
2-[3-(diethylamino)propyl-ethylamino]propanimidamide
CID 102993857
N-butyl-N-ethylhexanimidamide;propane
CID 155716636
2-amino-N-[3-(diethylamino)propyl]-N,2-diethylbutanamide
CID 102993073
6-(diethylamino)-2,2-dimethylhexanimidamide
CID 106711904
tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate
CID 102998322
N,N-dibutylbutanimidamide
CID 63175446
3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea
CID 102992273
1-butyl-3,3-diethyl-1-methylguanidine;1-butyl-1,3,3-triethylguanidine
CID 175371086
2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
CID 102994219
7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide
CID 102993033

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N-ethylethanimidamide?
The IUPAC name of N-[3-(diethylamino)propyl]-N-ethylethanimidamide (CID 102998150) is N-[3-(diethylamino)propyl]-N-ethylethanimidamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N-ethylethanimidamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-N-ethylethanimidamide is [H]/N=C(\C)N(CC)CCCN(CC)CC.
What is the InChIKey of N-[3-(diethylamino)propyl]-N-ethylethanimidamide?
The InChIKey is CUMCDOPFAMZMMR-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H25N3/c1-5-13(6-2)9-8-10-14(7-3)11(4)12/h12H,5-10H2,1-4H3/b12-11+.
What are the key properties of N-[3-(diethylamino)propyl]-N-ethylethanimidamide?
N-[3-(diethylamino)propyl]-N-ethylethanimidamide has a molecular weight of 199.34 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N-ethylethanimidamide is sourced from PubChem (CID 102998150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).