N-amino-N'-propyldecanimidamide

C13H29N3 — CID 65427177

IUPACN-amino-N'-propyldecanimidamide
SMILESCCCCCCCCC/C(=N\CCC)NN
InChIInChI=1S/C13H29N3/c1-3-5-6-7-8-9-10-11-13(16-14)15-12-4-2/h3-12,14H2,1-2H3,(H,15,16)
InChIKeyIAUSJOWVTNQCTK-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.40
Rot. Bonds10

About N-amino-N'-propyldecanimidamide

N-amino-N'-propyldecanimidamide (PubChem CID 65427177) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-amino-N'-propyldecanimidamide.

Molecular Properties

Compound NameN-amino-N'-propyldecanimidamide
PubChem CID65427177
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN-amino-N'-propyldecanimidamide
SMILESCCCCCCCCC/C(=N\CCC)NN
InChIInChI=1S/C13H29N3/c1-3-5-6-7-8-9-10-11-13(16-14)15-12-4-2/h3-12,14H2,1-2H3,(H,15,16)
InChIKeyIAUSJOWVTNQCTK-UHFFFAOYSA-N
XLogP3.40
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-ethyldecanimidamide
CID 65427174
1-amino-3-hexyl-2-propylguanidine
CID 104886641
1-amino-3-heptan-2-yl-2-propylguanidine
CID 104885589
N-amino-N'-(2-methoxyethyl)butanimidamide
CID 62544957
N-amino-N'-tert-butylpentanimidamide
CID 61362720
N,N'-dipentylpentanimidamide
CID 88678498
N,N'-bis(2-ethoxyethyl)decanimidamide
CID 88679605
N-hydroxytridecanamide
CID 14122613
1-amino-2-propylguanidine;hydrochloride
CID 173441996
3-amino-1-butyl-1-ethyl-2-propylguanidine
CID 104883414
7-hydrazinylidenedodecan-6-ylidenehydrazine
CID 71443404
1-amino-3-tert-butyl-2-propylguanidine
CID 104882795

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-propyldecanimidamide?
The IUPAC name of N-amino-N'-propyldecanimidamide (CID 65427177) is N-amino-N'-propyldecanimidamide.
What is the SMILES notation for N-amino-N'-propyldecanimidamide?
The canonical SMILES for N-amino-N'-propyldecanimidamide is CCCCCCCCC/C(=N\CCC)NN.
What is the InChIKey of N-amino-N'-propyldecanimidamide?
The InChIKey is IAUSJOWVTNQCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-3-5-6-7-8-9-10-11-13(16-14)15-12-4-2/h3-12,14H2,1-2H3,(H,15,16).
What are the key properties of N-amino-N'-propyldecanimidamide?
N-amino-N'-propyldecanimidamide has a molecular weight of 227.40 g/mol, XLogP of 3.40, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-propyldecanimidamide is sourced from PubChem (CID 65427177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).