2-(oxepan-4-yl)propan-2-amine

C9H19NO — CID 84650641

IUPAC2-(oxepan-4-yl)propan-2-amine
SMILESCC(C)(N)C1CCCOCC1
InChIInChI=1S/C9H19NO/c1-9(2,10)8-4-3-6-11-7-5-8/h8H,3-7,10H2,1-2H3
InChIKeyULCMMBGXUVNGHJ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds1

About 2-(oxepan-4-yl)propan-2-amine

2-(oxepan-4-yl)propan-2-amine (PubChem CID 84650641) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(oxepan-4-yl)propan-2-amine.

Molecular Properties

Compound Name2-(oxepan-4-yl)propan-2-amine
PubChem CID84650641
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(oxepan-4-yl)propan-2-amine
SMILESCC(C)(N)C1CCCOCC1
InChIInChI=1S/C9H19NO/c1-9(2,10)8-4-3-6-11-7-5-8/h8H,3-7,10H2,1-2H3
InChIKeyULCMMBGXUVNGHJ-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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Related Compounds

2-(Oxan-3-yl)propan-2-amine
CID 82417868
3-Fluoro-2-methyl-3-(oxan-4-yl)butan-2-amine
CID 105443907
3-Methyl-2-(oxan-4-yl)butan-2-amine
CID 63936672
6-Ethoxy-2,3,4,6-tetramethylheptan-2-amine
CID 91316375
6-Methoxy-2,4,4,5-tetramethylhexan-2-amine
CID 123880115
3,5-Dimethyloxepan-3-amine
CID 132255145
6-Ethoxy-2,4,4-trimethylhexan-2-amine
CID 163582313
2-Methyl-3-(oxiran-2-ylmethyl)pentan-2-amine
CID 19357634
2-Methyl-1-(oxan-4-yl)propan-2-amine
CID 62622752
2-Methyl-3-(oxan-4-yl)pentan-3-amine
CID 63937077
4-Propan-2-yloxepan-4-amine
CID 65077058
1-(Oxepan-4-yl)ethan-1-amine
CID 66436771

Frequently Asked Questions

What is the IUPAC name of 2-(oxepan-4-yl)propan-2-amine?
The IUPAC name of 2-(oxepan-4-yl)propan-2-amine (CID 84650641) is 2-(oxepan-4-yl)propan-2-amine.
What is the SMILES notation for 2-(oxepan-4-yl)propan-2-amine?
The canonical SMILES for 2-(oxepan-4-yl)propan-2-amine is CC(C)(N)C1CCCOCC1.
What is the InChIKey of 2-(oxepan-4-yl)propan-2-amine?
The InChIKey is ULCMMBGXUVNGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,10)8-4-3-6-11-7-5-8/h8H,3-7,10H2,1-2H3.
What are the key properties of 2-(oxepan-4-yl)propan-2-amine?
2-(oxepan-4-yl)propan-2-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 2-(oxepan-4-yl)propan-2-amine is sourced from PubChem (CID 84650641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).