4-Tert-butyl-1,4-diazepan-1-amine

C9H21N3 — CID 58076615

IUPAC4-tert-butyl-1,4-diazepan-1-amine
SMILESCC(C)(C)N1CCCN(CC1)N
InChIInChI=1S/C9H21N3/c1-9(2,3)11-5-4-6-12(10)8-7-11/h4-8,10H2,1-3H3
InChIKeyFLRXOTBKHGDWFX-UHFFFAOYSA-N
MW171.28 g/mol
LogP0.70
Rot. Bonds1

About 4-Tert-butyl-1,4-diazepan-1-amine

4-Tert-butyl-1,4-diazepan-1-amine (PubChem CID 58076615) has the molecular formula C9H21N3 and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-tert-butyl-1,4-diazepan-1-amine.

Molecular Properties

Compound Name4-Tert-butyl-1,4-diazepan-1-amine
PubChem CID58076615
Molecular FormulaC9H21N3
Molecular Weight171.28 g/mol
Exact Mass171.17
IUPAC Name4-tert-butyl-1,4-diazepan-1-amine
SMILESCC(C)(C)N1CCCN(CC1)N
InChIInChI=1S/C9H21N3/c1-9(2,3)11-5-4-6-12(10)8-7-11/h4-8,10H2,1-3H3
InChIKeyFLRXOTBKHGDWFX-UHFFFAOYSA-N
XLogP0.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity139

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-1,4-diazepan-1-amine
CID 13154318
N,N,1,4,6-pentamethyl-1,4-diazepan-6-amine
CID 11858876
2-[amino(tert-butyl)amino]-N,N-dimethylethanamine
CID 14519834
1-Tert-butyl-4-methyl-1,4-diazepane
CID 20766992
1,4-Ditert-butyl-1,4-diazepane
CID 21028230
1-Tert-butyl-4-ethyl-1,4-diazepane
CID 58311606
1-Tert-butyl-4-propyl-1,4-diazepane
CID 58311618
CID 58998195
CID 58998195
4-Ethyl-1,4-diazepan-1-amine
CID 68085515
4-Butyl-1,4-diazepan-1-amine
CID 123170319
1,2,2,4-Tetramethyl-1,4-diazepane
CID 123578745
4-Propyl-1,4-diazepan-1-amine
CID 123939784

Frequently Asked Questions

What is the IUPAC name of 4-Tert-butyl-1,4-diazepan-1-amine?
The IUPAC name of 4-Tert-butyl-1,4-diazepan-1-amine (CID 58076615) is 4-tert-butyl-1,4-diazepan-1-amine.
What is the SMILES notation for 4-Tert-butyl-1,4-diazepan-1-amine?
The canonical SMILES for 4-Tert-butyl-1,4-diazepan-1-amine is CC(C)(C)N1CCCN(CC1)N.
What is the InChIKey of 4-Tert-butyl-1,4-diazepan-1-amine?
The InChIKey is FLRXOTBKHGDWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-9(2,3)11-5-4-6-12(10)8-7-11/h4-8,10H2,1-3H3.
What are the key properties of 4-Tert-butyl-1,4-diazepan-1-amine?
4-Tert-butyl-1,4-diazepan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Tert-butyl-1,4-diazepan-1-amine is sourced from PubChem (CID 58076615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).