1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine

C27H59N5 — CID 161180929

IUPAC1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine
SMILESCC(C)N1CCCCC1.CN1CCCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H22N2.C9H20N2.C8H17N/c1-10(2,3)12-7-5-6-11(4)8-9-12;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2)9-6-4-3-5-7-9/h5-9H2,1-4H3;5-8H2,1-4H3;8H,3-7H2,1-2H3
InChIKeyUSLDERRBZCZAEN-UHFFFAOYSA-N
MW453.80 g/mol
LogP4.34
Rot. Bonds1

About 1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine

1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine (PubChem CID 161180929) has the molecular formula C27H59N5 and a molecular weight of 453.80 g/mol. Its IUPAC name is 1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine
PubChem CID161180929
Molecular FormulaC27H59N5
Molecular Weight453.80 g/mol
Exact Mass453.48
IUPAC Name1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine
SMILESCC(C)N1CCCCC1.CN1CCCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H22N2.C9H20N2.C8H17N/c1-10(2,3)12-7-5-6-11(4)8-9-12;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2)9-6-4-3-5-7-9/h5-9H2,1-4H3;5-8H2,1-4H3;8H,3-7H2,1-2H3
InChIKeyUSLDERRBZCZAEN-UHFFFAOYSA-N
XLogP4.34
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.80
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 158395030
1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine
CID 156749865
1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine
CID 159350660
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
CID 170616932
ethane;1-methylazepane;1-propan-2-ylpiperidine
CID 170601993
argon;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-4-methylpiperazine;carbanide;ethane;methane;1-propan-2-ylpyrrolidine;nonakis(yttrium)
CID 163640351
1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine
CID 159843744
1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine
CID 157270913
1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane
CID 158280327
1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane
CID 159248645
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine?
The IUPAC name of 1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine (CID 161180929) is 1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine.
What is the SMILES notation for 1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine?
The canonical SMILES for 1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine is CC(C)N1CCCCC1.CN1CCCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine?
The InChIKey is USLDERRBZCZAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C9H20N2.C8H17N/c1-10(2,3)12-7-5-6-11(4)8-9-12;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2)9-6-4-3-5-7-9/h5-9H2,1-4H3;5-8H2,1-4H3;8H,3-7H2,1-2H3.
What are the key properties of 1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine?
1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine has a molecular weight of 453.80 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine is sourced from PubChem (CID 161180929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).