2-cyclohexyl-1-[1-(dimethylamino)propan-2-yl]guanidine

C12H26N4 — CID 82937488

IUPAC2-cyclohexyl-1-[1-(dimethylamino)propan-2-yl]guanidine
SMILESCC(CN(C)C)N/C(N)=N/C1CCCCC1
InChIInChI=1S/C12H26N4/c1-10(9-16(2)3)14-12(13)15-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H3,13,14,15)
InChIKeyFJRLPCCXOKHPTL-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.17
Rot. Bonds4

About 2-cyclohexyl-1-[1-(dimethylamino)propan-2-yl]guanidine

2-cyclohexyl-1-[1-(dimethylamino)propan-2-yl]guanidine (PubChem CID 82937488) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 2-cyclohexyl-1-[1-(dimethylamino)propan-2-yl]guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-[1-(dimethylamino)propan-2-yl]guanidine
PubChem CID82937488
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name2-cyclohexyl-1-[1-(dimethylamino)propan-2-yl]guanidine
SMILESCC(CN(C)C)N/C(N)=N/C1CCCCC1
InChIInChI=1S/C12H26N4/c1-10(9-16(2)3)14-12(13)15-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H3,13,14,15)
InChIKeyFJRLPCCXOKHPTL-UHFFFAOYSA-N
XLogP1.17
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.17
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[1-(dimethylamino)propan-2-yl]guanidine?
The IUPAC name of 2-cyclohexyl-1-[1-(dimethylamino)propan-2-yl]guanidine (CID 82937488) is 2-cyclohexyl-1-[1-(dimethylamino)propan-2-yl]guanidine.
What is the SMILES notation for 2-cyclohexyl-1-[1-(dimethylamino)propan-2-yl]guanidine?
The canonical SMILES for 2-cyclohexyl-1-[1-(dimethylamino)propan-2-yl]guanidine is CC(CN(C)C)N/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-[1-(dimethylamino)propan-2-yl]guanidine?
The InChIKey is FJRLPCCXOKHPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-10(9-16(2)3)14-12(13)15-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H3,13,14,15).
What are the key properties of 2-cyclohexyl-1-[1-(dimethylamino)propan-2-yl]guanidine?
2-cyclohexyl-1-[1-(dimethylamino)propan-2-yl]guanidine has a molecular weight of 226.37 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[1-(dimethylamino)propan-2-yl]guanidine is sourced from PubChem (CID 82937488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).