N,N-dibutyl-N'-ethylcarbamimidoyl chloride

C11H23ClN2 — CID 121218469

IUPACN,N-dibutyl-N'-ethylcarbamimidoyl chloride
SMILESCCCCN(CCCC)/C(Cl)=N/CC
InChIInChI=1S/C11H23ClN2/c1-4-7-9-14(10-8-5-2)11(12)13-6-3/h4-10H2,1-3H3/b13-11+
InChIKeyQWJDZVAJIXVDCA-ACCUITESSA-N
MW218.77 g/mol
LogP3.50
Rot. Bonds7

About N,N-dibutyl-N'-ethylcarbamimidoyl chloride

N,N-dibutyl-N'-ethylcarbamimidoyl chloride (PubChem CID 121218469) has the molecular formula C11H23ClN2 and a molecular weight of 218.77 g/mol. Its IUPAC name is N,N-dibutyl-N'-ethylcarbamimidoyl chloride.

Molecular Properties

Compound NameN,N-dibutyl-N'-ethylcarbamimidoyl chloride
PubChem CID121218469
Molecular FormulaC11H23ClN2
Molecular Weight218.77 g/mol
Exact Mass218.15
IUPAC NameN,N-dibutyl-N'-ethylcarbamimidoyl chloride
SMILESCCCCN(CCCC)/C(Cl)=N/CC
InChIInChI=1S/C11H23ClN2/c1-4-7-9-14(10-8-5-2)11(12)13-6-3/h4-10H2,1-3H3/b13-11+
InChIKeyQWJDZVAJIXVDCA-ACCUITESSA-N
XLogP3.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N,N-dibutyl-N'-methylethanimidamide
CID 13042442
N,N-dibutylcarbamoyl chloride;hydrochloride
CID 141018315
triethyl-(N'-ethyl-N,N-dipentylcarbamimidoyl)azanium chloride
CID 163212740
N,N,N'-tributylpentanimidamide
CID 87295509
hexane;hypochlorous acid
CID 88775298
1-butyl-1-ethyl-2-propylguanidine
CID 62360301
N'-methyl-N,N-dioctylethanimidamide
CID 139776671
N,N-dibutylpropanethioamide
CID 45118577
Bis(dibutyldithiocarbamato-S,S')copper
CID 156614044
bis(N,N-dibutylcarbamodithioate);nickel(2+)
CID 4523766
cerium(3+);tris(N,N-dibutylcarbamodithioate)
CID 141342374
decane;hypochlorous acid
CID 88775425

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-N'-ethylcarbamimidoyl chloride?
The IUPAC name of N,N-dibutyl-N'-ethylcarbamimidoyl chloride (CID 121218469) is N,N-dibutyl-N'-ethylcarbamimidoyl chloride.
What is the SMILES notation for N,N-dibutyl-N'-ethylcarbamimidoyl chloride?
The canonical SMILES for N,N-dibutyl-N'-ethylcarbamimidoyl chloride is CCCCN(CCCC)/C(Cl)=N/CC.
What is the InChIKey of N,N-dibutyl-N'-ethylcarbamimidoyl chloride?
The InChIKey is QWJDZVAJIXVDCA-ACCUITESSA-N. The full InChI is InChI=1S/C11H23ClN2/c1-4-7-9-14(10-8-5-2)11(12)13-6-3/h4-10H2,1-3H3/b13-11+.
What are the key properties of N,N-dibutyl-N'-ethylcarbamimidoyl chloride?
N,N-dibutyl-N'-ethylcarbamimidoyl chloride has a molecular weight of 218.77 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-N'-ethylcarbamimidoyl chloride is sourced from PubChem (CID 121218469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).