6-tert-butyl-1-ethyl-N-propan-2-ylazepan-4-amine;ethane

C17H38N2 — CID 142347766

IUPAC6-tert-butyl-1-ethyl-N-propan-2-ylazepan-4-amine;ethane
SMILESCC.CCN1CCC(NC(C)C)CC(C(C)(C)C)C1
InChIInChI=1S/C15H32N2.C2H6/c1-7-17-9-8-14(16-12(2)3)10-13(11-17)15(4,5)6;1-2/h12-14,16H,7-11H2,1-6H3;1-2H3
InChIKeyHIHITGDOALAQJU-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.16
Rot. Bonds3

About 6-tert-butyl-1-ethyl-N-propan-2-ylazepan-4-amine;ethane

6-tert-butyl-1-ethyl-N-propan-2-ylazepan-4-amine;ethane (PubChem CID 142347766) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 6-tert-butyl-1-ethyl-N-propan-2-ylazepan-4-amine;ethane.

Molecular Properties

Compound Name6-tert-butyl-1-ethyl-N-propan-2-ylazepan-4-amine;ethane
PubChem CID142347766
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name6-tert-butyl-1-ethyl-N-propan-2-ylazepan-4-amine;ethane
SMILESCC.CCN1CCC(NC(C)C)CC(C(C)(C)C)C1
InChIInChI=1S/C15H32N2.C2H6/c1-7-17-9-8-14(16-12(2)3)10-13(11-17)15(4,5)6;1-2/h12-14,16H,7-11H2,1-6H3;1-2H3
InChIKeyHIHITGDOALAQJU-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-ethyl-N-propan-2-ylazepan-4-amine;ethane?
The IUPAC name of 6-tert-butyl-1-ethyl-N-propan-2-ylazepan-4-amine;ethane (CID 142347766) is 6-tert-butyl-1-ethyl-N-propan-2-ylazepan-4-amine;ethane.
What is the SMILES notation for 6-tert-butyl-1-ethyl-N-propan-2-ylazepan-4-amine;ethane?
The canonical SMILES for 6-tert-butyl-1-ethyl-N-propan-2-ylazepan-4-amine;ethane is CC.CCN1CCC(NC(C)C)CC(C(C)(C)C)C1.
What is the InChIKey of 6-tert-butyl-1-ethyl-N-propan-2-ylazepan-4-amine;ethane?
The InChIKey is HIHITGDOALAQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2.C2H6/c1-7-17-9-8-14(16-12(2)3)10-13(11-17)15(4,5)6;1-2/h12-14,16H,7-11H2,1-6H3;1-2H3.
What are the key properties of 6-tert-butyl-1-ethyl-N-propan-2-ylazepan-4-amine;ethane?
6-tert-butyl-1-ethyl-N-propan-2-ylazepan-4-amine;ethane has a molecular weight of 270.50 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-ethyl-N-propan-2-ylazepan-4-amine;ethane is sourced from PubChem (CID 142347766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).