1-amino-3-(cyclohexylmethyl)-2-methylguanidine

C9H20N4 — CID 104881992

IUPAC1-amino-3-(cyclohexylmethyl)-2-methylguanidine
SMILESC/N=C(\NN)NCC1CCCCC1
InChIInChI=1S/C9H20N4/c1-11-9(13-10)12-7-8-5-3-2-4-6-8/h8H,2-7,10H2,1H3,(H2,11,12,13)
InChIKeyNWSFOTFDSBHAKC-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.61
Rot. Bonds2

About 1-amino-3-(cyclohexylmethyl)-2-methylguanidine

1-amino-3-(cyclohexylmethyl)-2-methylguanidine (PubChem CID 104881992) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 1-amino-3-(cyclohexylmethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(cyclohexylmethyl)-2-methylguanidine
PubChem CID104881992
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name1-amino-3-(cyclohexylmethyl)-2-methylguanidine
SMILESC/N=C(\NN)NCC1CCCCC1
InChIInChI=1S/C9H20N4/c1-11-9(13-10)12-7-8-5-3-2-4-6-8/h8H,2-7,10H2,1H3,(H2,11,12,13)
InChIKeyNWSFOTFDSBHAKC-UHFFFAOYSA-N
XLogP0.61
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.61
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(cyclohexylmethyl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(cyclohexylmethyl)-2-methylguanidine (CID 104881992) is 1-amino-3-(cyclohexylmethyl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(cyclohexylmethyl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(cyclohexylmethyl)-2-methylguanidine is C/N=C(\NN)NCC1CCCCC1.
What is the InChIKey of 1-amino-3-(cyclohexylmethyl)-2-methylguanidine?
The InChIKey is NWSFOTFDSBHAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-11-9(13-10)12-7-8-5-3-2-4-6-8/h8H,2-7,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-amino-3-(cyclohexylmethyl)-2-methylguanidine?
1-amino-3-(cyclohexylmethyl)-2-methylguanidine has a molecular weight of 184.29 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(cyclohexylmethyl)-2-methylguanidine is sourced from PubChem (CID 104881992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).