1-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine

C15H32N4 — CID 62364051

IUPAC1-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine
SMILESCC(C)N(CC/N=C(\N)NC1CCCCC1)C(C)C
InChIInChI=1S/C15H32N4/c1-12(2)19(13(3)4)11-10-17-15(16)18-14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3,(H3,16,17,18)
InChIKeyFJUSNEGUFSPRKT-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.34
Rot. Bonds6

About 1-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine

1-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine (PubChem CID 62364051) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine
PubChem CID62364051
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine
SMILESCC(C)N(CC/N=C(\N)NC1CCCCC1)C(C)C
InChIInChI=1S/C15H32N4/c1-12(2)19(13(3)4)11-10-17-15(16)18-14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3,(H3,16,17,18)
InChIKeyFJUSNEGUFSPRKT-UHFFFAOYSA-N
XLogP2.34
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.34
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 1-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine (CID 62364051) is 1-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine is CC(C)N(CC/N=C(\N)NC1CCCCC1)C(C)C.
What is the InChIKey of 1-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine?
The InChIKey is FJUSNEGUFSPRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-12(2)19(13(3)4)11-10-17-15(16)18-14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3,(H3,16,17,18).
What are the key properties of 1-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine?
1-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine has a molecular weight of 268.45 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine is sourced from PubChem (CID 62364051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).