N-amino-2-cycloheptyl-N'-cyclopropylethanimidamide

C12H23N3 — CID 104928915

IUPACN-amino-2-cycloheptyl-N'-cyclopropylethanimidamide
SMILESNN/C(CC1CCCCCC1)=N\C1CC1
InChIInChI=1S/C12H23N3/c13-15-12(14-11-7-8-11)9-10-5-3-1-2-4-6-10/h10-11H,1-9,13H2,(H,14,15)
InChIKeyBBXJYLMDUYTRSU-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.37
Rot. Bonds3

About N-amino-2-cycloheptyl-N'-cyclopropylethanimidamide

N-amino-2-cycloheptyl-N'-cyclopropylethanimidamide (PubChem CID 104928915) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-amino-2-cycloheptyl-N'-cyclopropylethanimidamide.

Molecular Properties

Compound NameN-amino-2-cycloheptyl-N'-cyclopropylethanimidamide
PubChem CID104928915
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-amino-2-cycloheptyl-N'-cyclopropylethanimidamide
SMILESNN/C(CC1CCCCCC1)=N\C1CC1
InChIInChI=1S/C12H23N3/c13-15-12(14-11-7-8-11)9-10-5-3-1-2-4-6-10/h10-11H,1-9,13H2,(H,14,15)
InChIKeyBBXJYLMDUYTRSU-UHFFFAOYSA-N
XLogP2.37
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.37
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'-cycloheptyl-2-cyclohexylethanimidamide
CID 63462480
N-amino-N'-cyclohexylpropanimidamide
CID 61363512
N-amino-N'-cycloheptyl-2-phenylethanimidamide
CID 61360529
N-amino-N'-cyclohexyl-3-propoxypropanimidamide
CID 62717370
3-amino-1-(cyclopentylmethyl)-2-cyclopropyl-1-methylguanidine
CID 104886066
N-amino-N'-cyclopentyl-2-propoxyethanimidamide
CID 107940791
N-amino-N'-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]ethanimidamide
CID 103940514
N-amino-N'-cyclopropylcyclopentanecarboximidamide
CID 61362316
1-amino-2-cyclohexylguanidine;hydrochloride
CID 91622736
N-amino-3-cyclohexyl-N'-ethylpropanimidamide
CID 61363441
N-amino-N'-cycloheptylcycloheptanecarboximidamide
CID 55194306
N-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide
CID 61363310

Frequently Asked Questions

What is the IUPAC name of N-amino-2-cycloheptyl-N'-cyclopropylethanimidamide?
The IUPAC name of N-amino-2-cycloheptyl-N'-cyclopropylethanimidamide (CID 104928915) is N-amino-2-cycloheptyl-N'-cyclopropylethanimidamide.
What is the SMILES notation for N-amino-2-cycloheptyl-N'-cyclopropylethanimidamide?
The canonical SMILES for N-amino-2-cycloheptyl-N'-cyclopropylethanimidamide is NN/C(CC1CCCCCC1)=N\C1CC1.
What is the InChIKey of N-amino-2-cycloheptyl-N'-cyclopropylethanimidamide?
The InChIKey is BBXJYLMDUYTRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c13-15-12(14-11-7-8-11)9-10-5-3-1-2-4-6-10/h10-11H,1-9,13H2,(H,14,15).
What are the key properties of N-amino-2-cycloheptyl-N'-cyclopropylethanimidamide?
N-amino-2-cycloheptyl-N'-cyclopropylethanimidamide has a molecular weight of 209.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-cycloheptyl-N'-cyclopropylethanimidamide is sourced from PubChem (CID 104928915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).