1-[[4-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylguanidine

C11H24N4 — CID 21334587

IUPAC1-[[4-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCC1CCC(CN)CC1
InChIInChI=1S/C11H24N4/c1-13-11(14-2)15-8-10-5-3-9(7-12)4-6-10/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyPDNAKNCKXFEHKH-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.55
Rot. Bonds3

About 1-[[4-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylguanidine

1-[[4-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylguanidine (PubChem CID 21334587) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[[4-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylguanidine
PubChem CID21334587
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name1-[[4-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCC1CCC(CN)CC1
InChIInChI=1S/C11H24N4/c1-13-11(14-2)15-8-10-5-3-9(7-12)4-6-10/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyPDNAKNCKXFEHKH-UHFFFAOYSA-N
XLogP0.55
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.55
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[[4-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylguanidine (CID 21334587) is 1-[[4-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[[4-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[[4-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylguanidine is C/N=C(\NC)NCC1CCC(CN)CC1.
What is the InChIKey of 1-[[4-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylguanidine?
The InChIKey is PDNAKNCKXFEHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-13-11(14-2)15-8-10-5-3-9(7-12)4-6-10/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[[4-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylguanidine?
1-[[4-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylguanidine has a molecular weight of 212.34 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylguanidine is sourced from PubChem (CID 21334587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).