N-[amino(cyclohexyl)methyl]-N'-[(2-chlorophenyl)methyl]methanimidamide

C15H22ClN3 — CID 142127663

IUPACN-[amino(cyclohexyl)methyl]-N'-[(2-chlorophenyl)methyl]methanimidamide
SMILESNC(N/C=N/Cc1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C15H22ClN3/c16-14-9-5-4-8-13(14)10-18-11-19-15(17)12-6-2-1-3-7-12/h4-5,8-9,11-12,15H,1-3,6-7,10,17H2,(H,18,19)
InChIKeyGCWLBPWBZNFFMN-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.32
Rot. Bonds5

About N-[amino(cyclohexyl)methyl]-N'-[(2-chlorophenyl)methyl]methanimidamide

N-[amino(cyclohexyl)methyl]-N'-[(2-chlorophenyl)methyl]methanimidamide (PubChem CID 142127663) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[amino(cyclohexyl)methyl]-N'-[(2-chlorophenyl)methyl]methanimidamide.

Molecular Properties

Compound NameN-[amino(cyclohexyl)methyl]-N'-[(2-chlorophenyl)methyl]methanimidamide
PubChem CID142127663
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC NameN-[amino(cyclohexyl)methyl]-N'-[(2-chlorophenyl)methyl]methanimidamide
SMILESNC(N/C=N/Cc1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C15H22ClN3/c16-14-9-5-4-8-13(14)10-18-11-19-15(17)12-6-2-1-3-7-12/h4-5,8-9,11-12,15H,1-3,6-7,10,17H2,(H,18,19)
InChIKeyGCWLBPWBZNFFMN-UHFFFAOYSA-N
XLogP3.32
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine
CID 61416900
2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine
CID 103290291
[2-(2-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105209625
1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768
2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine
CID 62364373
[3-(2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine
CID 105278665
(2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate
CID 141252605
2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine
CID 111806872
1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63415363
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-(2-chlorophenyl)acetamide
CID 61122791
(R)-(2-chlorophenyl)-cyclopentylmethanamine
CID 91256846

Frequently Asked Questions

What is the IUPAC name of N-[amino(cyclohexyl)methyl]-N'-[(2-chlorophenyl)methyl]methanimidamide?
The IUPAC name of N-[amino(cyclohexyl)methyl]-N'-[(2-chlorophenyl)methyl]methanimidamide (CID 142127663) is N-[amino(cyclohexyl)methyl]-N'-[(2-chlorophenyl)methyl]methanimidamide.
What is the SMILES notation for N-[amino(cyclohexyl)methyl]-N'-[(2-chlorophenyl)methyl]methanimidamide?
The canonical SMILES for N-[amino(cyclohexyl)methyl]-N'-[(2-chlorophenyl)methyl]methanimidamide is NC(N/C=N/Cc1ccccc1Cl)C1CCCCC1.
What is the InChIKey of N-[amino(cyclohexyl)methyl]-N'-[(2-chlorophenyl)methyl]methanimidamide?
The InChIKey is GCWLBPWBZNFFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c16-14-9-5-4-8-13(14)10-18-11-19-15(17)12-6-2-1-3-7-12/h4-5,8-9,11-12,15H,1-3,6-7,10,17H2,(H,18,19).
What are the key properties of N-[amino(cyclohexyl)methyl]-N'-[(2-chlorophenyl)methyl]methanimidamide?
N-[amino(cyclohexyl)methyl]-N'-[(2-chlorophenyl)methyl]methanimidamide has a molecular weight of 279.81 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(cyclohexyl)methyl]-N'-[(2-chlorophenyl)methyl]methanimidamide is sourced from PubChem (CID 142127663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).