N'-octan-4-ylbutanimidamide

C12H26N2 — CID 106022232

IUPACN'-octan-4-ylbutanimidamide
SMILESCCCCC(CCC)/N=C(/N)CCC
InChIInChI=1S/C12H26N2/c1-4-7-10-11(8-5-2)14-12(13)9-6-3/h11H,4-10H2,1-3H3,(H2,13,14)
InChIKeyFAKCFNVKXZCPJV-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.50
Rot. Bonds8

About N'-octan-4-ylbutanimidamide

N'-octan-4-ylbutanimidamide (PubChem CID 106022232) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-octan-4-ylbutanimidamide.

Molecular Properties

Compound NameN'-octan-4-ylbutanimidamide
PubChem CID106022232
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-octan-4-ylbutanimidamide
SMILESCCCCC(CCC)/N=C(/N)CCC
InChIInChI=1S/C12H26N2/c1-4-7-10-11(8-5-2)14-12(13)9-6-3/h11H,4-10H2,1-3H3,(H2,13,14)
InChIKeyFAKCFNVKXZCPJV-UHFFFAOYSA-N
XLogP3.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.50
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

N'-octan-4-ylpropanimidamide
CID 106022229
2-octan-4-ylguanidine
CID 106025621
2-nonan-5-ylguanidine
CID 88763433
2-decan-5-ylguanidine
CID 146527866
1-tert-butyl-2-octan-4-ylguanidine
CID 106025625
1-(diaminomethylidene)-2-dodecan-5-ylguanidine
CID 57270136
2-heptan-4-yl-1-methylideneguanidine
CID 143219688
1-(diaminomethylidene)-2-heptan-3-ylguanidine
CID 18769921
N-dodecan-6-ylundecan-6-imine
CID 134421092
2-propylhexanamide
CID 19818979
6-azidodecanamide
CID 175969614
1,2-bis(1-hydroxyhexan-2-yl)guanidine
CID 23103903

Frequently Asked Questions

What is the IUPAC name of N'-octan-4-ylbutanimidamide?
The IUPAC name of N'-octan-4-ylbutanimidamide (CID 106022232) is N'-octan-4-ylbutanimidamide.
What is the SMILES notation for N'-octan-4-ylbutanimidamide?
The canonical SMILES for N'-octan-4-ylbutanimidamide is CCCCC(CCC)/N=C(/N)CCC.
What is the InChIKey of N'-octan-4-ylbutanimidamide?
The InChIKey is FAKCFNVKXZCPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-7-10-11(8-5-2)14-12(13)9-6-3/h11H,4-10H2,1-3H3,(H2,13,14).
What are the key properties of N'-octan-4-ylbutanimidamide?
N'-octan-4-ylbutanimidamide has a molecular weight of 198.35 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-octan-4-ylbutanimidamide is sourced from PubChem (CID 106022232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).