N,N'-di(butan-2-yl)ethanimidamide

C10H22N2 — CID 66575040

IUPACN,N'-di(butan-2-yl)ethanimidamide
SMILESCCC(C)/N=C(\C)NC(C)CC
InChIInChI=1S/C10H22N2/c1-6-8(3)11-10(5)12-9(4)7-2/h8-9H,6-7H2,1-5H3,(H,11,12)
InChIKeyYQRPYRGJGSCPEW-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.59
Rot. Bonds4

About N,N'-di(butan-2-yl)ethanimidamide

N,N'-di(butan-2-yl)ethanimidamide (PubChem CID 66575040) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N,N'-di(butan-2-yl)ethanimidamide.

Molecular Properties

Compound NameN,N'-di(butan-2-yl)ethanimidamide
PubChem CID66575040
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN,N'-di(butan-2-yl)ethanimidamide
SMILESCCC(C)/N=C(\C)NC(C)CC
InChIInChI=1S/C10H22N2/c1-6-8(3)11-10(5)12-9(4)7-2/h8-9H,6-7H2,1-5H3,(H,11,12)
InChIKeyYQRPYRGJGSCPEW-UHFFFAOYSA-N
XLogP2.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

1H-Imidazole, 2-ethyl-4,5-dihydro-5-methyl-
CID 13604
N-pentan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 3271879
1H-Imidazole, 4,5-dihydro-2,5-dimethyl-
CID 102522
Ethanimidamide, N,N'-bis(1-methylethyl)-
CID 11205611
2,4-dimethyl-4,5-dihydro-1H-imidazole
CID 135915972
2-Methyl-1,4,5,6-tetrahydropyrimidine
CID 2771917
Ethanimidamide, N,N'-dibutyl-
CID 11194584
N,N'-dipropylethanimidamide
CID 12021308
N,N'-Dihexylacetamidine
CID 12021309
Dimethylformamidine isobutyl ester
CID 123896701
1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine
CID 21242212
N-ethyl-N'-(3-fluoropropyl)propanimidamide
CID 123547980

Frequently Asked Questions

What is the IUPAC name of N,N'-di(butan-2-yl)ethanimidamide?
The IUPAC name of N,N'-di(butan-2-yl)ethanimidamide (CID 66575040) is N,N'-di(butan-2-yl)ethanimidamide.
What is the SMILES notation for N,N'-di(butan-2-yl)ethanimidamide?
The canonical SMILES for N,N'-di(butan-2-yl)ethanimidamide is CCC(C)/N=C(\C)NC(C)CC.
What is the InChIKey of N,N'-di(butan-2-yl)ethanimidamide?
The InChIKey is YQRPYRGJGSCPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-6-8(3)11-10(5)12-9(4)7-2/h8-9H,6-7H2,1-5H3,(H,11,12).
What are the key properties of N,N'-di(butan-2-yl)ethanimidamide?
N,N'-di(butan-2-yl)ethanimidamide has a molecular weight of 170.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(butan-2-yl)ethanimidamide is sourced from PubChem (CID 66575040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).