N-butyl-N-ethylhexanimidamide;propane

C18H42N2 — CID 155716636

IUPACN-butyl-N-ethylhexanimidamide;propane
SMILESCCC.CCC.[H]/N=C(\CCCCC)N(CC)CCCC
InChIInChI=1S/C12H26N2.2C3H8/c1-4-7-9-10-12(13)14(6-3)11-8-5-2;2*1-3-2/h13H,4-11H2,1-3H3;2*3H2,1-2H3/b13-12+;;
InChIKeyKYTARWGOEMKKEK-HPAIREQNSA-N
MW286.55 g/mol
LogP6.50
Rot. Bonds8

About N-butyl-N-ethylhexanimidamide;propane

N-butyl-N-ethylhexanimidamide;propane (PubChem CID 155716636) has the molecular formula C18H42N2 and a molecular weight of 286.55 g/mol. Its IUPAC name is N-butyl-N-ethylhexanimidamide;propane.

Molecular Properties

Compound NameN-butyl-N-ethylhexanimidamide;propane
PubChem CID155716636
Molecular FormulaC18H42N2
Molecular Weight286.55 g/mol
Exact Mass286.33
IUPAC NameN-butyl-N-ethylhexanimidamide;propane
SMILESCCC.CCC.[H]/N=C(\CCCCC)N(CC)CCCC
InChIInChI=1S/C12H26N2.2C3H8/c1-4-7-9-10-12(13)14(6-3)11-8-5-2;2*1-3-2/h13H,4-11H2,1-3H3;2*3H2,1-2H3/b13-12+;;
InChIKeyKYTARWGOEMKKEK-HPAIREQNSA-N
XLogP6.50
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.55
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-butyl-3,3-diethyl-1-methylguanidine;1-butyl-1,3,3-triethylguanidine
CID 175371086
CID 22121637
CID 22121637
heptan-2-imine;propane;tungsten
CID 57359574
N-butan-2-yl-N-butylpropanimidamide
CID 63177436
1-dodecyl-1-pentylguanidine
CID 88762865
1,1-didodecylguanidine
CID 23103902
N,N-diethyl-4-methylpentanimidamide
CID 63179219
N,N-dibutyl-2,2-dimethylpropanimidamide
CID 63175509
N-butyl-N-cyclopropylbutanimidamide
CID 63176623
N-[3-(diethylamino)propyl]-N-ethylethanimidamide
CID 102998150
N-butyl-N-ethylpentanamide
CID 4629847

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethylhexanimidamide;propane?
The IUPAC name of N-butyl-N-ethylhexanimidamide;propane (CID 155716636) is N-butyl-N-ethylhexanimidamide;propane.
What is the SMILES notation for N-butyl-N-ethylhexanimidamide;propane?
The canonical SMILES for N-butyl-N-ethylhexanimidamide;propane is CCC.CCC.[H]/N=C(\CCCCC)N(CC)CCCC.
What is the InChIKey of N-butyl-N-ethylhexanimidamide;propane?
The InChIKey is KYTARWGOEMKKEK-HPAIREQNSA-N. The full InChI is InChI=1S/C12H26N2.2C3H8/c1-4-7-9-10-12(13)14(6-3)11-8-5-2;2*1-3-2/h13H,4-11H2,1-3H3;2*3H2,1-2H3/b13-12+;;.
What are the key properties of N-butyl-N-ethylhexanimidamide;propane?
N-butyl-N-ethylhexanimidamide;propane has a molecular weight of 286.55 g/mol, XLogP of 6.50, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethylhexanimidamide;propane is sourced from PubChem (CID 155716636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).