1,5-ditert-butylazepan-4-amine

C14H30N2 — CID 168747791

IUPAC1,5-ditert-butylazepan-4-amine
SMILESCC(C)(C)C1CCN(C(C)(C)C)CCC1N
InChIInChI=1S/C14H30N2/c1-13(2,3)11-7-9-16(14(4,5)6)10-8-12(11)15/h11-12H,7-10,15H2,1-6H3
InChIKeyJCSFFRVWZZZADL-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds

About 1,5-ditert-butylazepan-4-amine

1,5-ditert-butylazepan-4-amine (PubChem CID 168747791) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1,5-ditert-butylazepan-4-amine.

Molecular Properties

Compound Name1,5-ditert-butylazepan-4-amine
PubChem CID168747791
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1,5-ditert-butylazepan-4-amine
SMILESCC(C)(C)C1CCN(C(C)(C)C)CCC1N
InChIInChI=1S/C14H30N2/c1-13(2,3)11-7-9-16(14(4,5)6)10-8-12(11)15/h11-12H,7-10,15H2,1-6H3
InChIKeyJCSFFRVWZZZADL-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-ditert-butylazepan-4-amine?
The IUPAC name of 1,5-ditert-butylazepan-4-amine (CID 168747791) is 1,5-ditert-butylazepan-4-amine.
What is the SMILES notation for 1,5-ditert-butylazepan-4-amine?
The canonical SMILES for 1,5-ditert-butylazepan-4-amine is CC(C)(C)C1CCN(C(C)(C)C)CCC1N.
What is the InChIKey of 1,5-ditert-butylazepan-4-amine?
The InChIKey is JCSFFRVWZZZADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-13(2,3)11-7-9-16(14(4,5)6)10-8-12(11)15/h11-12H,7-10,15H2,1-6H3.
What are the key properties of 1,5-ditert-butylazepan-4-amine?
1,5-ditert-butylazepan-4-amine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-ditert-butylazepan-4-amine is sourced from PubChem (CID 168747791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).