N-amino-N'-cyclohexyl-3-propoxypropanimidamide

C12H25N3O — CID 62717370

IUPACN-amino-N'-cyclohexyl-3-propoxypropanimidamide
SMILESCCCOCC/C(=N\C1CCCCC1)NN
InChIInChI=1S/C12H25N3O/c1-2-9-16-10-8-12(15-13)14-11-6-4-3-5-7-11/h11H,2-10,13H2,1H3,(H,14,15)
InChIKeyNNONPAFAUUGECL-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.00
Rot. Bonds6

About N-amino-N'-cyclohexyl-3-propoxypropanimidamide

N-amino-N'-cyclohexyl-3-propoxypropanimidamide (PubChem CID 62717370) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-3-propoxypropanimidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-3-propoxypropanimidamide
PubChem CID62717370
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-amino-N'-cyclohexyl-3-propoxypropanimidamide
SMILESCCCOCC/C(=N\C1CCCCC1)NN
InChIInChI=1S/C12H25N3O/c1-2-9-16-10-8-12(15-13)14-11-6-4-3-5-7-11/h11H,2-10,13H2,1H3,(H,14,15)
InChIKeyNNONPAFAUUGECL-UHFFFAOYSA-N
XLogP2.00
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-cyclopentyl-2-propoxyethanimidamide
CID 107940791
N-amino-N'-cyclohexylpropanimidamide
CID 61363512
N-amino-N'-cycloheptyl-2-cyclohexylethanimidamide
CID 63462480
N-amino-2-cycloheptyl-N'-cyclopropylethanimidamide
CID 104928915
3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine
CID 104887487
N-amino-N'-cycloheptyl-3-(3-methylphenyl)propanimidamide
CID 63464264
2-propoxyethyl cyclohexanecarboxylate
CID 66700127
N-amino-N'-cycloheptyl-2-phenylethanimidamide
CID 61360529
1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine
CID 104888558
N-amino-N'-cycloheptyl-2-methylbutanimidamide
CID 61361542
N-cyclohexylhexan-3-imine
CID 13140474
N-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide
CID 61363310

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclohexyl-3-propoxypropanimidamide?
The IUPAC name of N-amino-N'-cyclohexyl-3-propoxypropanimidamide (CID 62717370) is N-amino-N'-cyclohexyl-3-propoxypropanimidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-3-propoxypropanimidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-3-propoxypropanimidamide is CCCOCC/C(=N\C1CCCCC1)NN.
What is the InChIKey of N-amino-N'-cyclohexyl-3-propoxypropanimidamide?
The InChIKey is NNONPAFAUUGECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-2-9-16-10-8-12(15-13)14-11-6-4-3-5-7-11/h11H,2-10,13H2,1H3,(H,14,15).
What are the key properties of N-amino-N'-cyclohexyl-3-propoxypropanimidamide?
N-amino-N'-cyclohexyl-3-propoxypropanimidamide has a molecular weight of 227.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-3-propoxypropanimidamide is sourced from PubChem (CID 62717370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).