4-propan-2-yloxepan-4-amine

C9H19NO — CID 65077058

IUPAC4-propan-2-yloxepan-4-amine
SMILESCC(C)C1(N)CCCOCC1
InChIInChI=1S/C9H19NO/c1-8(2)9(10)4-3-6-11-7-5-9/h8H,3-7,10H2,1-2H3
InChIKeyFRZJGFLPGFXEEK-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds1

About 4-propan-2-yloxepan-4-amine

4-propan-2-yloxepan-4-amine (PubChem CID 65077058) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-propan-2-yloxepan-4-amine.

Molecular Properties

Compound Name4-propan-2-yloxepan-4-amine
PubChem CID65077058
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-propan-2-yloxepan-4-amine
SMILESCC(C)C1(N)CCCOCC1
InChIInChI=1S/C9H19NO/c1-8(2)9(10)4-3-6-11-7-5-9/h8H,3-7,10H2,1-2H3
InChIKeyFRZJGFLPGFXEEK-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxepan-4-amine?
The IUPAC name of 4-propan-2-yloxepan-4-amine (CID 65077058) is 4-propan-2-yloxepan-4-amine.
What is the SMILES notation for 4-propan-2-yloxepan-4-amine?
The canonical SMILES for 4-propan-2-yloxepan-4-amine is CC(C)C1(N)CCCOCC1.
What is the InChIKey of 4-propan-2-yloxepan-4-amine?
The InChIKey is FRZJGFLPGFXEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)9(10)4-3-6-11-7-5-9/h8H,3-7,10H2,1-2H3.
What are the key properties of 4-propan-2-yloxepan-4-amine?
4-propan-2-yloxepan-4-amine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxepan-4-amine is sourced from PubChem (CID 65077058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).