1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine

C15H32N4 — CID 111764337

IUPAC1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
SMILESC/N=C(\NCCNC(C)(C)C)NC1CCC(C)CC1
InChIInChI=1S/C15H32N4/c1-12-6-8-13(9-7-12)19-14(16-5)17-10-11-18-15(2,3)4/h12-13,18H,6-11H2,1-5H3,(H2,16,17,19)
InChIKeyRUJWTUPQEKVCNX-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.12
Rot. Bonds4

About 1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine

1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine (PubChem CID 111764337) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine.

Molecular Properties

Compound Name1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
PubChem CID111764337
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
SMILESC/N=C(\NCCNC(C)(C)C)NC1CCC(C)CC1
InChIInChI=1S/C15H32N4/c1-12-6-8-13(9-7-12)19-14(16-5)17-10-11-18-15(2,3)4/h12-13,18H,6-11H2,1-5H3,(H2,16,17,19)
InChIKeyRUJWTUPQEKVCNX-UHFFFAOYSA-N
XLogP2.12
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(4-methylcyclohexyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778538
methyl 3-[[N'-methyl-N-(4-methylcyclohexyl)carbamimidoyl]amino]propanoate
CID 111256031
1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111255944
2-methyl-1-(4-methylcyclohexyl)-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111256276
1-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine
CID 130774185
tert-butyl N-methyl-N-[2-[[N'-methyl-N-(4-methylcyclohexyl)carbamimidoyl]amino]ethyl]carbamate
CID 111256095
1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111257086
1-[2-[butyl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111783409
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111256923
1-(2-methoxy-3,3-dimethylbutyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111837082
1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256830
3-(tert-butylamino)-N-(4-methylcyclohexyl)propanamide
CID 54928774

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine?
The IUPAC name of 1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine (CID 111764337) is 1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine.
What is the SMILES notation for 1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine?
The canonical SMILES for 1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine is C/N=C(\NCCNC(C)(C)C)NC1CCC(C)CC1.
What is the InChIKey of 1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine?
The InChIKey is RUJWTUPQEKVCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-12-6-8-13(9-7-12)19-14(16-5)17-10-11-18-15(2,3)4/h12-13,18H,6-11H2,1-5H3,(H2,16,17,19).
What are the key properties of 1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine?
1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine has a molecular weight of 268.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine is sourced from PubChem (CID 111764337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).