1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine

C15H32N4 — CID 62361793

IUPAC1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine
SMILESCC1CCCC(C/N=C(\N)NC(C)(C)C)(N(C)C)C1
InChIInChI=1S/C15H32N4/c1-12-8-7-9-15(10-12,19(5)6)11-17-13(16)18-14(2,3)4/h12H,7-11H2,1-6H3,(H3,16,17,18)
InChIKeyPPRONOBDNDCOTQ-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.20
Rot. Bonds3

About 1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine

1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine (PubChem CID 62361793) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine
PubChem CID62361793
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine
SMILESCC1CCCC(C/N=C(\N)NC(C)(C)C)(N(C)C)C1
InChIInChI=1S/C15H32N4/c1-12-8-7-9-15(10-12,19(5)6)11-17-13(16)18-14(2,3)4/h12H,7-11H2,1-6H3,(H3,16,17,18)
InChIKeyPPRONOBDNDCOTQ-UHFFFAOYSA-N
XLogP2.20
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.20
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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Related Compounds

2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine
CID 62358998
1-carbamimidoyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine
CID 176546913
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110927467
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111077192
ethyl 4-[[N'-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111077169
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111077161
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-propylguanidine
CID 111228683
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111138219
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119861051
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111343818
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide
CID 76895695
1-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111812074

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine (CID 62361793) is 1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine is CC1CCCC(C/N=C(\N)NC(C)(C)C)(N(C)C)C1.
What is the InChIKey of 1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine?
The InChIKey is PPRONOBDNDCOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-12-8-7-9-15(10-12,19(5)6)11-17-13(16)18-14(2,3)4/h12H,7-11H2,1-6H3,(H3,16,17,18).
What are the key properties of 1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine?
1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine has a molecular weight of 268.45 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine is sourced from PubChem (CID 62361793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).