2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-propan-2-ylguanidine

C19H32N4 — CID 111077965

IUPAC2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/Cc1ccccc1CN(C)C1CCCCC1
InChIInChI=1S/C19H32N4/c1-15(2)22-19(20)21-13-16-9-7-8-10-17(16)14-23(3)18-11-5-4-6-12-18/h7-10,15,18H,4-6,11-14H2,1-3H3,(H3,20,21,22)
InChIKeyCXZROYRTBMGVQH-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.26
Rot. Bonds6

About 2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-propan-2-ylguanidine

2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-propan-2-ylguanidine (PubChem CID 111077965) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-propan-2-ylguanidine
PubChem CID111077965
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/Cc1ccccc1CN(C)C1CCCCC1
InChIInChI=1S/C19H32N4/c1-15(2)22-19(20)21-13-16-9-7-8-10-17(16)14-23(3)18-11-5-4-6-12-18/h7-10,15,18H,4-6,11-14H2,1-3H3,(H3,20,21,22)
InChIKeyCXZROYRTBMGVQH-UHFFFAOYSA-N
XLogP3.26
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]guanidine
CID 111077961
2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111077966
N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077954
2-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111036655
2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylguanidine
CID 111047170
2-[[N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide
CID 111364653
2-[[cyclohexyl(methyl)amino]methyl]benzenecarbothioamide
CID 24707191
4-acetyl-N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110964100
2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778
1-[1-(2,4-dichlorophenyl)ethyl]-2-[[2-[(dimethylamino)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111034522
N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62422996
N-[(2-methanehydrazonoylphenyl)methyl]-N-methylcyclohexanamine
CID 168529451

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-propan-2-ylguanidine (CID 111077965) is 2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-propan-2-ylguanidine is CC(C)N/C(N)=N/Cc1ccccc1CN(C)C1CCCCC1.
What is the InChIKey of 2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-propan-2-ylguanidine?
The InChIKey is CXZROYRTBMGVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-15(2)22-19(20)21-13-16-9-7-8-10-17(16)14-23(3)18-11-5-4-6-12-18/h7-10,15,18H,4-6,11-14H2,1-3H3,(H3,20,21,22).
What are the key properties of 2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-propan-2-ylguanidine?
2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-propan-2-ylguanidine has a molecular weight of 316.49 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 111077965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).