N-amino-N'-cyclopentyl-2-(3-methylphenyl)ethanimidamide

C14H21N3 — CID 62387733

IUPACN-amino-N'-cyclopentyl-2-(3-methylphenyl)ethanimidamide
SMILESCc1cccc(C/C(=N/C2CCCC2)NN)c1
InChIInChI=1S/C14H21N3/c1-11-5-4-6-12(9-11)10-14(17-15)16-13-7-2-3-8-13/h4-6,9,13H,2-3,7-8,10,15H2,1H3,(H,16,17)
InChIKeyCSGLMBYSXNZYPZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.34
Rot. Bonds3

About N-amino-N'-cyclopentyl-2-(3-methylphenyl)ethanimidamide

N-amino-N'-cyclopentyl-2-(3-methylphenyl)ethanimidamide (PubChem CID 62387733) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-2-(3-methylphenyl)ethanimidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-2-(3-methylphenyl)ethanimidamide
PubChem CID62387733
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-amino-N'-cyclopentyl-2-(3-methylphenyl)ethanimidamide
SMILESCc1cccc(C/C(=N/C2CCCC2)NN)c1
InChIInChI=1S/C14H21N3/c1-11-5-4-6-12(9-11)10-14(17-15)16-13-7-2-3-8-13/h4-6,9,13H,2-3,7-8,10,15H2,1H3,(H,16,17)
InChIKeyCSGLMBYSXNZYPZ-UHFFFAOYSA-N
XLogP2.34
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.34
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-3-(3-methylphenyl)propanimidamide
CID 63464264
N-amino-2-(3-chlorophenyl)-N'-cyclopentylethanimidamide
CID 62504643
N-amino-N'-cyclopentyl-2-naphthalen-2-ylethanimidamide
CID 61363497
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol
CID 93382278
N-amino-N'-cyclopentyl-2-phenylsulfanylethanimidamide
CID 79206755
1-amino-2-[(3-methylphenyl)methyl]guanidine
CID 64868829
N-(3-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide
CID 71786211
1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone
CID 116584625
N-(4-aminocyclohexyl)-2-(3-methylphenyl)acetamide
CID 62387693
1-cyclopentylsulfanyl-3-(3-methylphenyl)propan-2-one
CID 65138848
3-amino-1-[(3-chlorophenyl)methyl]-2-cyclohexyl-1-methylguanidine
CID 116513862

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopentyl-2-(3-methylphenyl)ethanimidamide?
The IUPAC name of N-amino-N'-cyclopentyl-2-(3-methylphenyl)ethanimidamide (CID 62387733) is N-amino-N'-cyclopentyl-2-(3-methylphenyl)ethanimidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-2-(3-methylphenyl)ethanimidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-2-(3-methylphenyl)ethanimidamide is Cc1cccc(C/C(=N/C2CCCC2)NN)c1.
What is the InChIKey of N-amino-N'-cyclopentyl-2-(3-methylphenyl)ethanimidamide?
The InChIKey is CSGLMBYSXNZYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11-5-4-6-12(9-11)10-14(17-15)16-13-7-2-3-8-13/h4-6,9,13H,2-3,7-8,10,15H2,1H3,(H,16,17).
What are the key properties of N-amino-N'-cyclopentyl-2-(3-methylphenyl)ethanimidamide?
N-amino-N'-cyclopentyl-2-(3-methylphenyl)ethanimidamide has a molecular weight of 231.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-2-(3-methylphenyl)ethanimidamide is sourced from PubChem (CID 62387733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).