N,N-bis(2-ethoxyethyl)butanimidamide

C12H26N2O2 — CID 82959932

IUPACN,N-bis(2-ethoxyethyl)butanimidamide
SMILES[H]/N=C(\CCC)N(CCOCC)CCOCC
InChIInChI=1S/C12H26N2O2/c1-4-7-12(13)14(8-10-15-5-2)9-11-16-6-3/h13H,4-11H2,1-3H3/b13-12+
InChIKeyKLCQBTRURMAAFH-OUKQBFOZSA-N
MW230.35 g/mol
LogP2.14
Rot. Bonds10

About N,N-bis(2-ethoxyethyl)butanimidamide

N,N-bis(2-ethoxyethyl)butanimidamide (PubChem CID 82959932) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)butanimidamide.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)butanimidamide
PubChem CID82959932
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN,N-bis(2-ethoxyethyl)butanimidamide
SMILES[H]/N=C(\CCC)N(CCOCC)CCOCC
InChIInChI=1S/C12H26N2O2/c1-4-7-12(13)14(8-10-15-5-2)9-11-16-6-3/h13H,4-11H2,1-3H3/b13-12+
InChIKeyKLCQBTRURMAAFH-OUKQBFOZSA-N
XLogP2.14
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

N,N-dibutylbutanimidamide
CID 63175446
1,1-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]guanidine
CID 87621187
4-[bis(2-ethoxyethyl)amino]butanimidamide
CID 82951501
3-[2-ethoxyethyl(methyl)amino]propanimidamide
CID 43457219
1,1,3,3-tetrakis(2-ethoxyethyl)urea
CID 54341985
2-[2-ethoxyethyl(ethyl)amino]ethanimidamide
CID 63697565
1-[bis(2-ethoxyethyl)amino]pentan-2-one
CID 82952185
N-methyl-N-(2-propan-2-yloxyethyl)butanimidamide
CID 81074511
N,N-bis(2-ethoxyethyl)dodecanamide
CID 87526086
N-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide
CID 63692580
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-1-methylguanidine
CID 87620124
N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethoxyethyl)butanimidamide?
The IUPAC name of N,N-bis(2-ethoxyethyl)butanimidamide (CID 82959932) is N,N-bis(2-ethoxyethyl)butanimidamide.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)butanimidamide?
The canonical SMILES for N,N-bis(2-ethoxyethyl)butanimidamide is [H]/N=C(\CCC)N(CCOCC)CCOCC.
What is the InChIKey of N,N-bis(2-ethoxyethyl)butanimidamide?
The InChIKey is KLCQBTRURMAAFH-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-7-12(13)14(8-10-15-5-2)9-11-16-6-3/h13H,4-11H2,1-3H3/b13-12+.
What are the key properties of N,N-bis(2-ethoxyethyl)butanimidamide?
N,N-bis(2-ethoxyethyl)butanimidamide has a molecular weight of 230.35 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)butanimidamide is sourced from PubChem (CID 82959932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).