1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine

C13H27N3 — CID 110920662

IUPAC1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine
SMILESCCC(C)N/C(N)=N/CC1CCCCC1C
InChIInChI=1S/C13H27N3/c1-4-11(3)16-13(14)15-9-12-8-6-5-7-10(12)2/h10-12H,4-9H2,1-3H3,(H3,14,15,16)
InChIKeyARZXFNQXUSOPRT-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.52
Rot. Bonds4

About 1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine

1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine (PubChem CID 110920662) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine
PubChem CID110920662
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine
SMILESCCC(C)N/C(N)=N/CC1CCCCC1C
InChIInChI=1S/C13H27N3/c1-4-11(3)16-13(14)15-9-12-8-6-5-7-10(12)2/h10-12H,4-9H2,1-3H3,(H3,14,15,16)
InChIKeyARZXFNQXUSOPRT-UHFFFAOYSA-N
XLogP2.52
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110920661
1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine
CID 107420682
1-[(2S)-butan-2-yl]-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]guanidine
CID 124732340
1-butan-2-yl-2-[[2-(4-methylphenyl)oxan-3-yl]methyl]guanidine
CID 111478581
1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554
1-[(2S)-butan-2-yl]-2-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]guanidine
CID 95143617
1-amino-2-[(2-methylcyclopentyl)methyl]-3-propan-2-ylguanidine
CID 107421475
N'-[(2-methylcyclohexyl)methyl]butanimidamide
CID 63176610
1-butan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 51132120
N'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide
CID 63176723
2-(cyclooctylmethyl)-1-(1-methoxypropan-2-yl)guanidine
CID 111075413
2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide
CID 110912555

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine?
The IUPAC name of 1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine (CID 110920662) is 1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine?
The canonical SMILES for 1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine is CCC(C)N/C(N)=N/CC1CCCCC1C.
What is the InChIKey of 1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine?
The InChIKey is ARZXFNQXUSOPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-4-11(3)16-13(14)15-9-12-8-6-5-7-10(12)2/h10-12H,4-9H2,1-3H3,(H3,14,15,16).
What are the key properties of 1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine?
1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine has a molecular weight of 225.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine is sourced from PubChem (CID 110920662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).