N-amino-N'-cycloheptyl-2-methylbutanimidamide

C12H25N3 — CID 61361542

IUPACN-amino-N'-cycloheptyl-2-methylbutanimidamide
SMILESCCC(C)/C(=N\C1CCCCCC1)NN
InChIInChI=1S/C12H25N3/c1-3-10(2)12(15-13)14-11-8-6-4-5-7-9-11/h10-11H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyQYLVLDOBRCPTRS-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.62
Rot. Bonds3

About N-amino-N'-cycloheptyl-2-methylbutanimidamide

N-amino-N'-cycloheptyl-2-methylbutanimidamide (PubChem CID 61361542) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-amino-N'-cycloheptyl-2-methylbutanimidamide.

Molecular Properties

Compound NameN-amino-N'-cycloheptyl-2-methylbutanimidamide
PubChem CID61361542
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-amino-N'-cycloheptyl-2-methylbutanimidamide
SMILESCCC(C)/C(=N\C1CCCCCC1)NN
InChIInChI=1S/C12H25N3/c1-3-10(2)12(15-13)14-11-8-6-4-5-7-9-11/h10-11H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyQYLVLDOBRCPTRS-UHFFFAOYSA-N
XLogP2.62
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-methylbutanimidamide
CID 61361320
N-amino-N'-cyclohexyl-2-cyclopropylpropanimidamide
CID 83148479
N-amino-N'-cyclohexylpropanimidamide
CID 61363512
3-amino-2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine
CID 104883686
2-cyclohexyl-1-methyl-1-pentan-3-ylguanidine
CID 62362276
3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine
CID 104883616
1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine
CID 104889083
3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine
CID 104885486
1-amino-2-cyclohexylguanidine;hydrochloride
CID 91622736
3-amino-2-cyclohexyl-1,1-dimethylguanidine
CID 104883392
N-amino-2-(3-chlorophenoxy)-N'-cyclohexylpropanimidamide
CID 62227615
1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine
CID 116513637

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cycloheptyl-2-methylbutanimidamide?
The IUPAC name of N-amino-N'-cycloheptyl-2-methylbutanimidamide (CID 61361542) is N-amino-N'-cycloheptyl-2-methylbutanimidamide.
What is the SMILES notation for N-amino-N'-cycloheptyl-2-methylbutanimidamide?
The canonical SMILES for N-amino-N'-cycloheptyl-2-methylbutanimidamide is CCC(C)/C(=N\C1CCCCCC1)NN.
What is the InChIKey of N-amino-N'-cycloheptyl-2-methylbutanimidamide?
The InChIKey is QYLVLDOBRCPTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-3-10(2)12(15-13)14-11-8-6-4-5-7-9-11/h10-11H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of N-amino-N'-cycloheptyl-2-methylbutanimidamide?
N-amino-N'-cycloheptyl-2-methylbutanimidamide has a molecular weight of 211.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cycloheptyl-2-methylbutanimidamide is sourced from PubChem (CID 61361542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).