2-(1-tert-butylazepan-3-yl)guanidine

C11H24N4 — CID 68955876

IUPAC2-(1-tert-butylazepan-3-yl)guanidine
SMILESCC(C)(C)N1CCCCC(N=C(N)N)C1
InChIInChI=1S/C11H24N4/c1-11(2,3)15-7-5-4-6-9(8-15)14-10(12)13/h9H,4-8H2,1-3H3,(H4,12,13,14)
InChIKeyZDMXGJPYSNGVHI-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.91
Rot. Bonds1

About 2-(1-tert-butylazepan-3-yl)guanidine

2-(1-tert-butylazepan-3-yl)guanidine (PubChem CID 68955876) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(1-tert-butylazepan-3-yl)guanidine.

Molecular Properties

Compound Name2-(1-tert-butylazepan-3-yl)guanidine
PubChem CID68955876
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name2-(1-tert-butylazepan-3-yl)guanidine
SMILESCC(C)(C)N1CCCCC(N=C(N)N)C1
InChIInChI=1S/C11H24N4/c1-11(2,3)15-7-5-4-6-9(8-15)14-10(12)13/h9H,4-8H2,1-3H3,(H4,12,13,14)
InChIKeyZDMXGJPYSNGVHI-UHFFFAOYSA-N
XLogP0.91
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.91
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

1-tert-butylpiperidine-3-carboxamide
CID 59656300
(1-tert-butylazepan-3-yl)methanamine
CID 84659780
tert-butyl 3-(diaminomethylideneamino)piperidine-1-carboxylate;hydrochloride
CID 67427139
3-(diaminomethylideneamino)piperidine-1-carboxylic acid
CID 77306150
1-tert-butylpyrrolidine-3-carbothioamide
CID 172787377
(3S)-1-tert-butylpyrrolidine-3-carboxamide
CID 59439118
2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;methanamine
CID 161009351
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylpyrrolidine
CID 163734387
1-tert-butyl-N,N-dimethylpiperidine-3-carboxamide
CID 58877729
1-tert-butyl-N-methylpiperidine-3-carboxamide
CID 165376853

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylazepan-3-yl)guanidine?
The IUPAC name of 2-(1-tert-butylazepan-3-yl)guanidine (CID 68955876) is 2-(1-tert-butylazepan-3-yl)guanidine.
What is the SMILES notation for 2-(1-tert-butylazepan-3-yl)guanidine?
The canonical SMILES for 2-(1-tert-butylazepan-3-yl)guanidine is CC(C)(C)N1CCCCC(N=C(N)N)C1.
What is the InChIKey of 2-(1-tert-butylazepan-3-yl)guanidine?
The InChIKey is ZDMXGJPYSNGVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-11(2,3)15-7-5-4-6-9(8-15)14-10(12)13/h9H,4-8H2,1-3H3,(H4,12,13,14).
What are the key properties of 2-(1-tert-butylazepan-3-yl)guanidine?
2-(1-tert-butylazepan-3-yl)guanidine has a molecular weight of 212.34 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylazepan-3-yl)guanidine is sourced from PubChem (CID 68955876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).