1-tert-butylazepane;1-tert-butylpiperidine

C19H40N2 — CID 158450868

IUPAC1-tert-butylazepane;1-tert-butylpiperidine
SMILESCC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCCC1
InChIInChI=1S/C10H21N.C9H19N/c1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)10-7-5-4-6-8-10/h4-9H2,1-3H3;4-8H2,1-3H3
InChIKeyHDYRXNRKZCWBHA-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.93
Rot. Bonds

About 1-tert-butylazepane;1-tert-butylpiperidine

1-tert-butylazepane;1-tert-butylpiperidine (PubChem CID 158450868) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-tert-butylazepane;1-tert-butylpiperidine.

Molecular Properties

Compound Name1-tert-butylazepane;1-tert-butylpiperidine
PubChem CID158450868
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name1-tert-butylazepane;1-tert-butylpiperidine
SMILESCC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCCC1
InChIInChI=1S/C10H21N.C9H19N/c1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)10-7-5-4-6-8-10/h4-9H2,1-3H3;4-8H2,1-3H3
InChIKeyHDYRXNRKZCWBHA-UHFFFAOYSA-N
XLogP4.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine
CID 159350660
1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane
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azetidine;1-tert-butylpyrrolidine;2-methylpropane
CID 177188301
1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane
CID 159819553
1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine
CID 157270913
4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane
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1-tert-butylpiperidine;4-tert-butylpiperidine
CID 161268156
azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone
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CID 159248645

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazepane;1-tert-butylpiperidine?
The IUPAC name of 1-tert-butylazepane;1-tert-butylpiperidine (CID 158450868) is 1-tert-butylazepane;1-tert-butylpiperidine.
What is the SMILES notation for 1-tert-butylazepane;1-tert-butylpiperidine?
The canonical SMILES for 1-tert-butylazepane;1-tert-butylpiperidine is CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCCC1.
What is the InChIKey of 1-tert-butylazepane;1-tert-butylpiperidine?
The InChIKey is HDYRXNRKZCWBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H19N/c1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)10-7-5-4-6-8-10/h4-9H2,1-3H3;4-8H2,1-3H3.
What are the key properties of 1-tert-butylazepane;1-tert-butylpiperidine?
1-tert-butylazepane;1-tert-butylpiperidine has a molecular weight of 296.54 g/mol, XLogP of 4.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazepane;1-tert-butylpiperidine is sourced from PubChem (CID 158450868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).