N'-octan-4-ylpropanimidamide

C11H24N2 — CID 106022229

IUPACN'-octan-4-ylpropanimidamide
SMILESCCCCC(CCC)/N=C(/N)CC
InChIInChI=1S/C11H24N2/c1-4-7-9-10(8-5-2)13-11(12)6-3/h10H,4-9H2,1-3H3,(H2,12,13)
InChIKeyBRPBZMDPWRVWLG-UHFFFAOYSA-N
MW184.33 g/mol
LogP3.11
Rot. Bonds7

About N'-octan-4-ylpropanimidamide

N'-octan-4-ylpropanimidamide (PubChem CID 106022229) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N'-octan-4-ylpropanimidamide.

Molecular Properties

Compound NameN'-octan-4-ylpropanimidamide
PubChem CID106022229
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN'-octan-4-ylpropanimidamide
SMILESCCCCC(CCC)/N=C(/N)CC
InChIInChI=1S/C11H24N2/c1-4-7-9-10(8-5-2)13-11(12)6-3/h10H,4-9H2,1-3H3,(H2,12,13)
InChIKeyBRPBZMDPWRVWLG-UHFFFAOYSA-N
XLogP3.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 53.11
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-ylbutanimidamide
CID 106022232
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'-(6-methylheptan-2-yl)propanimidamide
CID 63177540
1,2-bis(1-hydroxyhexan-2-yl)guanidine
CID 23103903
2-(4-butyloctyl)guanidine
CID 167172231
N-dodecan-6-ylundecan-6-imine
CID 134421092

Frequently Asked Questions

What is the IUPAC name of N'-octan-4-ylpropanimidamide?
The IUPAC name of N'-octan-4-ylpropanimidamide (CID 106022229) is N'-octan-4-ylpropanimidamide.
What is the SMILES notation for N'-octan-4-ylpropanimidamide?
The canonical SMILES for N'-octan-4-ylpropanimidamide is CCCCC(CCC)/N=C(/N)CC.
What is the InChIKey of N'-octan-4-ylpropanimidamide?
The InChIKey is BRPBZMDPWRVWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-4-7-9-10(8-5-2)13-11(12)6-3/h10H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of N'-octan-4-ylpropanimidamide?
N'-octan-4-ylpropanimidamide has a molecular weight of 184.33 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-octan-4-ylpropanimidamide is sourced from PubChem (CID 106022229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).