N-(2-bromoprop-2-enyl)oxepan-4-amine

C9H16BrNO — CID 115886310

IUPACN-(2-bromoprop-2-enyl)oxepan-4-amine
SMILESC=C(Br)CNC1CCCOCC1
InChIInChI=1S/C9H16BrNO/c1-8(10)7-11-9-3-2-5-12-6-4-9/h9,11H,1-7H2
InChIKeyCAWMMMRDCJGYNZ-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.05
Rot. Bonds3

About N-(2-bromoprop-2-enyl)oxepan-4-amine

N-(2-bromoprop-2-enyl)oxepan-4-amine (PubChem CID 115886310) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)oxepan-4-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)oxepan-4-amine
PubChem CID115886310
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC NameN-(2-bromoprop-2-enyl)oxepan-4-amine
SMILESC=C(Br)CNC1CCCOCC1
InChIInChI=1S/C9H16BrNO/c1-8(10)7-11-9-3-2-5-12-6-4-9/h9,11H,1-7H2
InChIKeyCAWMMMRDCJGYNZ-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(oxepan-4-ylamino)propan-1-ol
CID 65076618
4-(oxepan-4-ylamino)butan-1-ol
CID 106841051
N-(bromomethyl)oxan-4-amine
CID 115261636
N-(chloromethyl)oxan-4-amine
CID 115262772
N-cyclobutyloxepan-4-amine
CID 65079311
N-cyclooctyloxepan-4-amine
CID 65076823
N-[(E)-pent-3-enyl]oxepan-4-amine
CID 115890191
N-(2,2,3-trimethylbutyl)oxepan-4-amine
CID 102613607
N-(1,4-dioxan-2-ylmethyl)oxepan-4-amine
CID 65081559
N-(2-piperidin-1-ylethyl)oxepan-4-amine
CID 65081716
1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone
CID 43610166
N-benzyloxepan-4-amine
CID 65076712

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)oxepan-4-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)oxepan-4-amine (CID 115886310) is N-(2-bromoprop-2-enyl)oxepan-4-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)oxepan-4-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)oxepan-4-amine is C=C(Br)CNC1CCCOCC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)oxepan-4-amine?
The InChIKey is CAWMMMRDCJGYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c1-8(10)7-11-9-3-2-5-12-6-4-9/h9,11H,1-7H2.
What are the key properties of N-(2-bromoprop-2-enyl)oxepan-4-amine?
N-(2-bromoprop-2-enyl)oxepan-4-amine has a molecular weight of 234.14 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)oxepan-4-amine is sourced from PubChem (CID 115886310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).