5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine

C16H34N2 — CID 142347916

IUPAC5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine
SMILESCC(C)NC1CCN(C(C)C)CCC1C(C)(C)C
InChIInChI=1S/C16H34N2/c1-12(2)17-15-9-11-18(13(3)4)10-8-14(15)16(5,6)7/h12-15,17H,8-11H2,1-7H3
InChIKeyXBCWCIMBOBFBEB-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds3

About 5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine

5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine (PubChem CID 142347916) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine.

Molecular Properties

Compound Name5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine
PubChem CID142347916
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine
SMILESCC(C)NC1CCN(C(C)C)CCC1C(C)(C)C
InChIInChI=1S/C16H34N2/c1-12(2)17-15-9-11-18(13(3)4)10-8-14(15)16(5,6)7/h12-15,17H,8-11H2,1-7H3
InChIKeyXBCWCIMBOBFBEB-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine?
The IUPAC name of 5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine (CID 142347916) is 5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine.
What is the SMILES notation for 5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine?
The canonical SMILES for 5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine is CC(C)NC1CCN(C(C)C)CCC1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine?
The InChIKey is XBCWCIMBOBFBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-12(2)17-15-9-11-18(13(3)4)10-8-14(15)16(5,6)7/h12-15,17H,8-11H2,1-7H3.
What are the key properties of 5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine?
5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine is sourced from PubChem (CID 142347916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).